[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine

C89H83F4N19O10S — CID 159180138

IUPAC[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCn1ccnc1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1csc(C)n1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1Oc1ccc(C(=O)N2CCOCC2)cn1.COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C26H24FN5O4.2C21H20FN5O2.C21H19FN4O2S/c1-16-3-5-20(19(27)11-16)31-25-18-12-22(34-2)23(13-21(18)29-15-30-25)36-24-6-4-17(14-28-24)26(33)32-7-9-35-10-8-32;1-14-9-15(3-4-17(14)22)26-21-16-10-19(28-2)20(11-18(16)24-12-25-21)29-8-7-27-6-5-23-13-27;1-14-3-4-17(16(22)9-14)26-21-15-10-19(28-2)20(11-18(15)24-12-25-21)29-8-7-27-6-5-23-13-27;1-12-4-5-17(16(22)6-12)26-21-15-7-19(27-3)20(8-18(15)23-11-24-21)28-9-14-10-29-13(2)25-14/h3-6,11-15H,7-10H2,1-2H3,(H,29,30,31);2*3-6,9-13H,7-8H2,1-2H3,(H,24,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24,26)
InChIKeyKMTYUMBLXBCSRL-UHFFFAOYSA-N
MW1686.82 g/mol
LogP17.87
Rot. Bonds26

About [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine

[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine (PubChem CID 159180138) has the molecular formula C89H83F4N19O10S and a molecular weight of 1686.82 g/mol. Its IUPAC name is [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound Name[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
PubChem CID159180138
Molecular FormulaC89H83F4N19O10S
Molecular Weight1686.82 g/mol
Exact Mass1685.62
IUPAC Name[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCn1ccnc1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1csc(C)n1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1Oc1ccc(C(=O)N2CCOCC2)cn1.COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCn1ccnc1
InChIInChI=1S/C26H24FN5O4.2C21H20FN5O2.C21H19FN4O2S/c1-16-3-5-20(19(27)11-16)31-25-18-12-22(34-2)23(13-21(18)29-15-30-25)36-24-6-4-17(14-28-24)26(33)32-7-9-35-10-8-32;1-14-9-15(3-4-17(14)22)26-21-16-10-19(28-2)20(11-18(16)24-12-25-21)29-8-7-27-6-5-23-13-27;1-14-3-4-17(16(22)9-14)26-21-15-10-19(28-2)20(11-18(15)24-12-25-21)29-8-7-27-6-5-23-13-27;1-12-4-5-17(16(22)6-12)26-21-15-7-19(27-3)20(8-18(15)23-11-24-21)28-9-14-10-29-13(2)25-14/h3-6,11-15H,7-10H2,1-2H3,(H,29,30,31);2*3-6,9-13H,7-8H2,1-2H3,(H,24,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24,26)
InChIKeyKMTYUMBLXBCSRL-UHFFFAOYSA-N
XLogP17.87
TPSA316.04 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.82
LogP ≤ 517.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris[2-[ethyl-[3-[4-[[5-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]amino]ethyl] phosphate
CID 87997308
Tris[2-[1-[3-[4-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-2-yl]ethyl] phosphate
CID 87997311
Tris[2-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-methylamino]ethyl] phosphate
CID 87997363
Tris[2-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-ethylamino]ethyl] phosphate
CID 87997452
Tris[2-[4-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-1-yl]ethyl] phosphate
CID 87997668
Tris[2-[3-[4-[[5-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl-ethylamino]ethyl] phosphate
CID 87997722
Tris[[1-[3-[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-4-yl]methyl] phosphate
CID 88005599
7-(1,3-benzodioxol-5-ylmethoxy)-N-(2-fluoro-4-methylphenyl)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(3-imidazol-1-ylpropoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[2-(2-methyl-1,3-thiazol-4-yl)ethoxy]quinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 157437112
N-(3,4-dimethoxyphenyl)-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxo-7-(4-phenoxyphenyl)-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxamide
CID 157916202
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide;4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone
CID 158085764
1-[4-[2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[6-cyano-2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[3-cyano-7-[3-(dimethylamino)propoxy]quinolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(3-cyano-1,8-naphthyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea
CID 158431961
6-[3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)propoxy]-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propoxy]quinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-methoxy-6-[3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propoxy]quinazolin-4-amine
CID 158852216

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine (CID 159180138) is [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCn1ccnc1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCc1csc(C)n1.COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1Oc1ccc(C(=O)N2CCOCC2)cn1.COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCn1ccnc1.
What is the InChIKey of [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is KMTYUMBLXBCSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4.2C21H20FN5O2.C21H19FN4O2S/c1-16-3-5-20(19(27)11-16)31-25-18-12-22(34-2)23(13-21(18)29-15-30-25)36-24-6-4-17(14-28-24)26(33)32-7-9-35-10-8-32;1-14-9-15(3-4-17(14)22)26-21-16-10-19(28-2)20(11-18(16)24-12-25-21)29-8-7-27-6-5-23-13-27;1-14-3-4-17(16(22)9-14)26-21-15-10-19(28-2)20(11-18(15)24-12-25-21)29-8-7-27-6-5-23-13-27;1-12-4-5-17(16(22)6-12)26-21-15-7-19(27-3)20(8-18(15)23-11-24-21)28-9-14-10-29-13(2)25-14/h3-6,11-15H,7-10H2,1-2H3,(H,29,30,31);2*3-6,9-13H,7-8H2,1-2H3,(H,24,25,26);4-8,10-11H,9H2,1-3H3,(H,23,24,26).
What are the key properties of [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine?
[6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 1686.82 g/mol, XLogP of 17.87, 26 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxy-3-pyridinyl]-morpholin-4-ylmethanone;N-(2-fluoro-4-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(4-fluoro-3-methylphenyl)-7-(2-imidazol-1-ylethoxy)-6-methoxyquinazolin-4-amine;N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 159180138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).