C123H164F3N21O5 — CID 159033519
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol (PubChem CID 159033519) has the molecular formula C123H164F3N21O5 and a molecular weight of 2073.80 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol.
| Compound Name | 2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol |
|---|---|
| PubChem CID | 159033519 |
| Molecular Formula | C123H164F3N21O5 |
| Molecular Weight | 2073.80 g/mol |
| Exact Mass | 2072.32 |
| IUPAC Name | 2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol |
| SMILES | CN(C)c1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1.CN(C)c1ccccc1C1CCN(c2nc(C3CCCC3)nc3ccc(N(C)CCN4CCOCC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3(F)CCCC3)nc3ccc(N(C)CCO)cc23)CC1 |
| InChI | InChI=1S/C33H45FN6O.C33H46N6O.C29H38FN5O.C28H35FN4O2/c1-37(2)30-9-5-4-8-27(30)25-12-16-40(17-13-25)31-28-24-26(38(3)18-19-39-20-22-41-23-21-39)10-11-29(28)35-32(36-31)33(34)14-6-7-15-33;1-36(2)31-11-7-6-10-28(31)25-14-16-39(17-15-25)33-29-24-27(37(3)18-19-38-20-22-40-23-21-38)12-13-30(29)34-32(35-33)26-8-4-5-9-26;1-33(2)26-9-5-4-8-23(26)21-12-16-35(17-13-21)27-24-20-22(34(3)18-19-36)10-11-25(24)31-28(32-27)29(30)14-6-7-15-29;1-32(17-18-34)21-9-10-24-23(19-21)26(31-27(30-24)28(29)13-5-6-14-28)33-15-11-20(12-16-33)22-7-3-4-8-25(22)35-2/h4-5,8-11,24-25H,6-7,12-23H2,1-3H3;6-7,10-13,24-26H,4-5,8-9,14-23H2,1-3H3;4-5,8-11,20-21,36H,6-7,12-19H2,1-3H3;3-4,7-10,19-20,34H,5-6,11-18H2,1-2H3 |
| InChIKey | JVEGNEBYLLJDBD-UHFFFAOYSA-N |
| XLogP | 21.53 |
| TPSA | 213.39 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 152 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2073.80 |
| LogP ≤ 5 | 21.53 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 26 |