C131H150ClN17O16 — CID 159057529
1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone (PubChem CID 159057529) has the molecular formula C131H150ClN17O16 and a molecular weight of 2254.20 g/mol. Its IUPAC name is 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone.
| Compound Name | 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone |
|---|---|
| PubChem CID | 159057529 |
| Molecular Formula | C131H150ClN17O16 |
| Molecular Weight | 2254.20 g/mol |
| Exact Mass | 2252.11 |
| IUPAC Name | 1-[4-(2-amino-7-methylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-(7-chloroquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(4-isoquinolin-1-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-4-yloxy-1-methylpyrrolidin-2-yl)ethanone;1-(4-isoquinolin-5-yloxy-1-methylpyrrolidin-2-yl)ethanone;bis(1-[1-methyl-4-(7-methylquinolin-4-yl)oxypyrrolidin-2-yl]ethanone);1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone |
| SMILES | CC(=O)C1CC(Oc2cc(N)nc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2cccc3cnccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3ccccc23)CN1C.CC(=O)C1CC(Oc2cncc3ccccc23)CN1C.CC(=O)C1CC(Oc2nccc3ccccc23)CN1C |
| InChI | InChI=1S/C17H21N3O2.2C17H20N2O2.C16H17ClN2O2.4C16H18N2O2/c1-10-4-5-13-14(6-10)19-17(18)8-16(13)22-12-7-15(11(2)21)20(3)9-12;2*1-11-4-5-14-15(8-11)18-7-6-17(14)21-13-9-16(12(2)20)19(3)10-13;1-10(20)15-8-12(9-19(15)2)21-16-5-6-18-14-7-11(17)3-4-13(14)16;1-11(19)15-8-13(10-18(15)2)20-16-5-3-4-12-9-17-7-6-14(12)16;1-11(19)15-7-13(10-18(15)2)20-16-9-17-8-12-5-3-4-6-14(12)16;1-11(19)15-9-12(10-18(15)2)20-16-7-8-17-14-6-4-3-5-13(14)16;1-11(19)15-9-13(10-18(15)2)20-16-14-6-4-3-5-12(14)7-8-17-16/h4-6,8,12,15H,7,9H2,1-3H3,(H2,18,19);2*4-8,13,16H,9-10H2,1-3H3;3-7,12,15H,8-9H2,1-2H3;3-7,9,13,15H,8,10H2,1-2H3;3-6,8-9,13,15H,7,10H2,1-2H3;3-8,12,15H,9-10H2,1-2H3;3-8,13,15H,9-10H2,1-2H3 |
| InChIKey | JYAVXHXDPCCRNK-UHFFFAOYSA-N |
| XLogP | 19.36 |
| TPSA | 365.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2254.20 |
| LogP ≤ 5 | 19.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 33 |