C206H238Cl2F2N40O23 — CID 159170852
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide);[(3S)-oxolan-3-yl] N-[1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 159170852) has the molecular formula C206H238Cl2F2N40O23 and a molecular weight of 3751.33 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide);[(3S)-oxolan-3-yl] N-[1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.
| Compound Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide);[(3S)-oxolan-3-yl] N-[1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate |
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| PubChem CID | 159170852 |
| Molecular Formula | C206H238Cl2F2N40O23 |
| Molecular Weight | 3751.33 g/mol |
| Exact Mass | 3747.80 |
| IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-methyl-3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine;ethane;7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-4-amine;4-[1-(4-methylpiperazin-1-yl)ethyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;bis(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide);[(3S)-oxolan-3-yl] N-[1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate |
| SMILES | CC.CC.CC.CC.CCCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC.COc1cc(NC(=O)Nc2cccc(C(C)NC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1.COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(C)CN1CCOCC1.COc1cc2ncnc(Nc3ccccc3)c2cc1OCCCN1CCOCC1.Cc1ccc(NC(=O)c2ccc(C(C)N3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChI | InChI=1S/C30H33N7O.2C29H31N7O.C24H26N4O6.C23H26ClFN4O3.C23H24N4O6.C22H26N4O3.C18H17ClFN3O2.4C2H6/c1-21-6-11-26(19-28(21)35-30-32-14-12-27(34-30)25-5-4-13-31-20-25)33-29(38)24-9-7-23(8-10-24)22(2)37-17-15-36(3)16-18-37;2*1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-15(26-24(30)34-19-8-9-32-13-19)16-4-3-5-17(10-16)27-23(29)28-18-6-7-20(21(11-18)31-2)22-12-25-14-33-22;1-15(12-29-5-7-31-8-6-29)13-32-22-10-17-20(11-21(22)30-2)26-14-27-23(17)28-16-3-4-19(25)18(24)9-16;1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18;1-27-20-15-19-18(22(24-16-23-19)25-17-6-3-2-4-7-17)14-21(20)29-11-5-8-26-9-12-28-13-10-26;1-3-6-25-17-8-12-15(9-16(17)24-2)21-10-22-18(12)23-11-4-5-14(20)13(19)7-11;4*1-2/h4-14,19-20,22H,15-18H2,1-3H3,(H,33,38)(H,32,34,35);2*3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);3-7,10-12,14-15,19H,8-9,13H2,1-2H3,(H,26,30)(H2,27,28,29);3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,26,27,28);2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28);2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,24,25);4-5,7-10H,3,6H2,1-2H3,(H,21,22,23);4*1-2H3/t;;;15?,19-;;18-;;;;;;/m...0.0....../s1 |
| InChIKey | KLQZLERDAJFWIV-UDWKQTIVSA-N |
| XLogP | 39.98 |
| TPSA | 700.49 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 273 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3751.33 |
| LogP ≤ 5 | 39.98 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 54 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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