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Diazanaphthalenes

Organic heterocyclic compounds that consist of a naphthalene double ring in which two of the carbon atoms have been replaced with nitrogen atoms.
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1

7-Methoxy-6-(3-morfolin-4-ylpropoxy)quinazolin-4(3H)-one, TRC

CAS: 199327-61-2 Molekylær formel: C16 H21 N3 O4 Molekylvægt (g/mol): 319.36 Synonym: 4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-,4(1H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]- (9CI),7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone,7-Methoxy-6-(3-(morpholin-4-yl)propoxy)-3H-quinazolin-4-one,7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one,7-Methoxy-6-[3-(4-morpholinyl)propoxy]quinazolin-4(3H)-one,Gefitinib Imp. A (EP) IUPAC navn: 7-methoxy-6-(3-morfolin-4-ylpropoxy)-3H-quinazolin-4-one SMIL: COc1cc2N=CNC(=O)c2cc1OCCCN3CCOCC3

Molekylvægt (g/mol) 319.36
CAS 199327-61-2
Synonym 4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-,4(1H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]- (9CI),7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone,7-Methoxy-6-(3-(morpholin-4-yl)propoxy)-3H-quinazolin-4-one,7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one,7-Methoxy-6-[3-(4-morpholinyl)propoxy]quinazolin-4(3H)-one,Gefitinib Imp. A (EP)
SMIL COc1cc2N=CNC(=O)c2cc1OCCCN3CCOCC3
IUPAC navn 7-methoxy-6-(3-morfolin-4-ylpropoxy)-3H-quinazolin-4-one
Molekylær formel C16 H21 N3 O4
2

Halofuginon Hydrobromid, TRC

CAS: 64924-67-0 Molekylær formel: C16 H17 Br Cl N3 O3 . Br H Molekylvægt (g/mol): 495.59 Synonym: 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol IUPAC navn: 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one; hydrobromid SMIL: Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O

Molekylvægt (g/mol) 495.59
CAS 64924-67-0
Synonym 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol
SMIL Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O
IUPAC navn 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one; hydrobromid
Molekylær formel C16 H17 Br Cl N3 O3 . Br H
3

4,5-Didehydro Brimonidin, TRC

CAS: 151110-15-5 Molekylær formel: C11 H8 Br N5 Molekylvægt (g/mol): 290.1187 Synonym: 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F IUPAC navn: 5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amin SMIL: Brc1c(Nc2ncc[nH]2)ccc3nccnc13

Molekylvægt (g/mol) 290.1187
CAS 151110-15-5
Synonym 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F
SMIL Brc1c(Nc2ncc[nH]2)ccc3nccnc13
IUPAC navn 5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amin
Molekylær formel C11 H8 Br N5
4

Lapatinib Ditosylate, TRC

CAS: 388082-77-7 Molekylær formel: C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S Molekylvægt (g/mol): 925.46 Synonym: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate (1:2),4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate) (9CI),GW 572016F,Lapatinib ditosylate,Tykerb IUPAC navn: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amin; 4-methylbenzensulfonsyre SMIL: Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

Molekylvægt (g/mol) 925.46
CAS 388082-77-7
Synonym 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate (1:2),4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate) (9CI),GW 572016F,Lapatinib ditosylate,Tykerb
SMIL Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4
IUPAC navn N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amin; 4-methylbenzensulfonsyre
Molekylær formel C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S
5

2-Amino-3,8-dimethylimidazo[4,5-f]quinoxalin, TRC

CAS: 77500-04-0 Molekylær formel: C11 H11 N5 Molekylvægt (g/mol): 213.24 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx IUPAC navn: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amin SMIL: Cc1cnc2ccc3c(nc(N)n3C)c2n1

Molekylvægt (g/mol) 213.24
CAS 77500-04-0
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx
SMIL Cc1cnc2ccc3c(nc(N)n3C)c2n1
IUPAC navn 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amin
Molekylær formel C11 H11 N5
6

Olaquindox, TRC

CAS: 23696-28-8 Molekylær formel: C12 H13 N3 O4 Molekylvægt (g/mol): 263.25 Synonym: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox IUPAC navn: N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxalin-1,4-diium-2-carboxamid SMIL: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]

Molekylvægt (g/mol) 263.25
CAS 23696-28-8
Synonym 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox
SMIL Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
IUPAC navn N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxalin-1,4-diium-2-carboxamid
Molekylær formel C12 H13 N3 O4
7

Cinoxacin, TRC

CAS: 28657-80-9 Molekylær formel: C12 H10 N2 O5 Molekylvægt (g/mol): 262.22 Synonym: [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm IUPAC navn: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnolin-3-carboxylsyre SMIL: CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12

Molekylvægt (g/mol) 262.22
CAS 28657-80-9
Synonym [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm
SMIL CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
IUPAC navn 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnolin-3-carboxylsyre
Molekylær formel C12 H10 N2 O5
8

4-[(4-Klorfenyl)methyl]-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinon Hydrochlorid, TRC

CAS: 117078-70-3 Molekylær formel: C22H24ClN3O . HCl Molekylvægt (g/mol): 381.9 Synonym: Azelastine 5-Member-Cyclic-Isomer Hcl IUPAC navn: 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one SMIL: Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

Molekylvægt (g/mol) 381.9
CAS 117078-70-3
Synonym Azelastine 5-Member-Cyclic-Isomer Hcl
SMIL Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
IUPAC navn 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
Molekylær formel C22H24ClN3O . HCl
9

O-Desmorfolinopropyl Gefitinib, TRC

CAS: 184475-71-6 Molekylær formel: C15 H11 Cl F N3 O2 Molekylvægt (g/mol): 319.72 Synonym: 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib IUPAC navn: 4-(3-chlor-4-fluoroanilino)-7-methoxyquinazolin-6-ol SMIL: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

Molekylvægt (g/mol) 319.72
CAS 184475-71-6
Synonym 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib
SMIL COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
IUPAC navn 4-(3-chlor-4-fluoroanilino)-7-methoxyquinazolin-6-ol
Molekylær formel C15 H11 Cl F N3 O2
10

6-Iodoquinazolin-4-one, TRC

CAS: 16064-08-7 Molekylær formel: C8H5IN2O Molekylvægt (g/mol): 272.05 Synonym: 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol SMIL: Ic1ccc2NC=NC(=O)c2c1

Molekylvægt (g/mol) 272.05
CAS 16064-08-7
Synonym 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol
SMIL Ic1ccc2NC=NC(=O)c2c1
Molekylær formel C8H5IN2O
11

6-amino-5-bromoquinoxalin, TRC

CAS: 50358-63-9 Molekylær formel: C8 H6 Br N3 Molekylvægt (g/mol): 224.06 Synonym: 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline IUPAC navn: 5-bromoquinoxalin-6-amin SMIL: Nc1ccc2nccnc2c1Br

Molekylvægt (g/mol) 224.06
CAS 50358-63-9
Synonym 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline
SMIL Nc1ccc2nccnc2c1Br
IUPAC navn 5-bromoquinoxalin-6-amin
Molekylær formel C8 H6 Br N3
12

6,7-Dimethoxyquinazolin-2,4-dion, TRC

CAS: 28888-44-0 Molekylær formel: C10 H10 N2 O4 Molekylvægt (g/mol): 222.2 Synonym: 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione IUPAC navn: 6,7-dimethoxy-1H-quinazolin-2,4-dione SMIL: COc1cc2NC(=O)NC(=O)c2cc1OC

Molekylvægt (g/mol) 222.2
CAS 28888-44-0
Synonym 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione
SMIL COc1cc2NC(=O)NC(=O)c2cc1OC
IUPAC navn 6,7-dimethoxy-1H-quinazolin-2,4-dione
Molekylær formel C10 H10 N2 O4
13

Ophthazin sulfat, TRC

CAS: 7327-87-9 Molekylær formel: C8 H10 N6 . H2 O4 S Molekylvægt (g/mol): 288.28 Synonym: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin IUPAC navn: (Z)-[(4Z)-4-hydrazinyliden-2,3-dihydrophthalazin-1-yliden] hydrazin; Svovlsyre SMIL: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O

Molekylvægt (g/mol) 288.28
CAS 7327-87-9
Synonym Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin
SMIL N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
IUPAC navn (Z)-[(4Z)-4-hydrazinyliden-2,3-dihydrophthalazin-1-yliden] hydrazin; Svovlsyre
Molekylær formel C8 H10 N6 . H2 O4 S
14

3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinon, TRC

CAS: 1290541-46-6 Molekylær formel: C12 H17 N3 O6 Molekylvægt (g/mol): 299.28 Synonym: BO 2 IUPAC navn: ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-carboxylat SMIL: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

Molekylvægt (g/mol) 299.28
CAS 1290541-46-6
Synonym BO 2
SMIL CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
IUPAC navn ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-carboxylat
Molekylær formel C12 H17 N3 O6
15

Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl (indeholdt ~8,5% ethanol), TRC

CAS: 314771-76-1 Molekylær formel: C18H16ClFN4O2 Molekylvægt (g/mol): 374.8 Synonym: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib IUPAC navn: 4-N-(3-chlor-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazolin-4,6-diamin SMIL: ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1

Molekylvægt (g/mol) 374.8
CAS 314771-76-1
Synonym N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
SMIL ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1
IUPAC navn 4-N-(3-chlor-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazolin-4,6-diamin
Molekylær formel C18H16ClFN4O2