C126H166F6N20O6 — CID 157236988
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 157236988) has the molecular formula C126H166F6N20O6 and a molecular weight of 2170.84 g/mol. Its IUPAC name is 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol.
| Compound Name | 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol |
|---|---|
| PubChem CID | 157236988 |
| Molecular Formula | C126H166F6N20O6 |
| Molecular Weight | 2170.84 g/mol |
| Exact Mass | 2169.32 |
| IUPAC Name | 2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol |
| SMILES | CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(C)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(C(F)(F)F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1 |
| InChI | InChI=1S/C34H48N6O.C33H42F3N5O2.C30H41N5O.C29H35F3N4O2/c1-34(15-7-8-16-34)33-35-30-12-11-27(38(4)19-20-39-21-23-41-24-22-39)25-29(30)32(36-33)40-17-13-26(14-18-40)28-9-5-6-10-31(28)37(2)3;1-39(17-18-40-19-21-43-22-20-40)25-9-10-28-27(23-25)30(38-31(37-28)32(33(34,35)36)13-5-6-14-32)41-15-11-24(12-16-41)26-7-3-4-8-29(26)42-2;1-30(15-7-8-16-30)29-31-26-12-11-23(34(4)19-20-36)21-25(26)28(32-29)35-17-13-22(14-18-35)24-9-5-6-10-27(24)33(2)3;1-35(17-18-37)21-9-10-24-23(19-21)26(34-27(33-24)28(29(30,31)32)13-5-6-14-28)36-15-11-20(12-16-36)22-7-3-4-8-25(22)38-2/h5-6,9-12,25-26H,7-8,13-24H2,1-4H3;3-4,7-10,23-24H,5-6,11-22H2,1-2H3;5-6,9-12,21-22,36H,7-8,13-20H2,1-4H3;3-4,7-10,19-20,37H,5-6,11-18H2,1-2H3 |
| InChIKey | AUTCLWJZCGZRDE-UHFFFAOYSA-N |
| XLogP | 23.01 |
| TPSA | 219.38 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 158 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2170.84 |
| LogP ≤ 5 | 23.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 26 |