C167H151F5N28O23S2 — CID 173319581
4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenol;4-fluoro-5-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;N-[4-[[4-(3-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide;5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;quinazoline (PubChem CID 173319581) has the molecular formula C167H151F5N28O23S2 and a molecular weight of 3077.34 g/mol. Its IUPAC name is 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenol;4-fluoro-5-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;N-[4-[[4-(3-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide;5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;quinazoline.
| Compound Name | 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenol;4-fluoro-5-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;N-[4-[[4-(3-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide;5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;quinazoline |
|---|---|
| PubChem CID | 173319581 |
| Molecular Formula | C167H151F5N28O23S2 |
| Molecular Weight | 3077.34 g/mol |
| Exact Mass | 3075.09 |
| IUPAC Name | 4-fluoro-5-[[6-methoxy-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenol;4-fluoro-5-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol;4-fluoro-5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;N-[4-[[4-(3-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-yl]oxymethyl]-1,3-thiazol-2-yl]acetamide;5-[[6-methoxy-7-(3-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol;quinazoline |
| SMILES | COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCCCc1ccncc1.COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1ccccc1.COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1ccncc1.COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1csc(C)n1.COc1cc2c(Nc3ccc(C)c(O)c3)ncnc2cc1OCCCc1ccncc1.COc1cc2c(Nc3ccc(C)c(O)c3)ncnc2cc1OCc1csc(NC(C)=O)n1.COc1cc2c(Oc3cc(O)c(C)cc3F)ncnc2cc1OCc1ccccc1.c1ccc2ncncc2c1 |
| InChI | InChI=1S/C24H23FN4O3.C24H24N4O3.C23H20FN3O3.C23H19FN2O4.C22H19FN4O3.C22H21N5O4S.C21H19FN4O3S.C8H6N2/c1-15-10-18(25)20(12-21(15)30)29-24-17-11-22(31-2)23(13-19(17)27-14-28-24)32-9-3-4-16-5-7-26-8-6-16;1-16-5-6-18(12-21(16)29)28-24-19-13-22(30-2)23(14-20(19)26-15-27-24)31-11-3-4-17-7-9-25-10-8-17;1-14-8-17(24)19(10-20(14)28)27-23-16-9-21(29-2)22(11-18(16)25-13-26-23)30-12-15-6-4-3-5-7-15;1-14-8-17(24)20(11-19(14)27)30-23-16-9-21(28-2)22(10-18(16)25-13-26-23)29-12-15-6-4-3-5-7-15;1-13-7-16(23)18(9-19(13)28)27-22-15-8-20(29-2)21(10-17(15)25-12-26-22)30-11-14-3-5-24-6-4-14;1-12-4-5-14(6-18(12)29)26-21-16-7-19(30-3)20(8-17(16)23-11-24-21)31-9-15-10-32-22(27-15)25-13(2)28;1-11-4-15(22)17(6-18(11)27)26-21-14-5-19(28-3)20(7-16(14)23-10-24-21)29-8-13-9-30-12(2)25-13;1-2-4-8-7(3-1)5-9-6-10-8/h5-8,10-14,30H,3-4,9H2,1-2H3,(H,27,28,29);5-10,12-15,29H,3-4,11H2,1-2H3,(H,26,27,28);3-11,13,28H,12H2,1-2H3,(H,25,26,27);3-11,13,27H,12H2,1-2H3;3-10,12,28H,11H2,1-2H3,(H,25,26,27);4-8,10-11,29H,9H2,1-3H3,(H,23,24,26)(H,25,27,28);4-7,9-10,27H,8H2,1-3H3,(H,23,24,26);1-6H |
| InChIKey | AMMPSGOBGBACSE-UHFFFAOYSA-N |
| XLogP | 35.43 |
| TPSA | 652.03 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 225 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3077.34 |
| LogP ≤ 5 | 35.43 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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