C91H90F3N15O10 — CID 159007904
2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 159007904) has the molecular formula C91H90F3N15O10 and a molecular weight of 1610.81 g/mol. Its IUPAC name is 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
| Compound Name | 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one |
|---|---|
| PubChem CID | 159007904 |
| Molecular Formula | C91H90F3N15O10 |
| Molecular Weight | 1610.81 g/mol |
| Exact Mass | 1609.69 |
| IUPAC Name | 2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one |
| SMILES | CCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)cn2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(C)c2)cc2ncccc12)[C@H]1CNC(=O)C1 |
| InChI | InChI=1S/C27H26N4O3.C24H26N4O3.C21H18F3N3O2.C19H20N4O2/c1-3-31(18(2)32)16-19-8-10-20(11-9-19)21-14-24-22(6-4-12-29-24)26(15-21)34-17-25-23(27(28)33)7-5-13-30-25;1-16(19-13-24(29)27-15-19)31-22-12-18(11-21-20(22)3-2-6-25-21)17-4-5-23(26-14-17)28-7-9-30-10-8-28;1-12(14-9-20(28)27-10-14)29-19-8-13(7-18-16(19)3-2-6-25-18)17-5-4-15(11-26-17)21(22,23)24;1-12(14-8-19(24)21-9-14)25-18-7-13(15-10-22-23(2)11-15)6-17-16(18)4-3-5-20-17/h4-15H,3,16-17H2,1-2H3,(H2,28,33);2-6,11-12,14,16,19H,7-10,13,15H2,1H3,(H,27,29);2-8,11-12,14H,9-10H2,1H3,(H,27,28);3-7,10-12,14H,8-9H2,1-2H3,(H,21,24)/t;16-,19-;2*12-,14-/m.111/s1 |
| InChIKey | JSDMFPOLXZWGFL-TVFJDHAFSA-N |
| XLogP | 14.14 |
| TPSA | 308.14 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 119 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1610.81 |
| LogP ≤ 5 | 14.14 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |