C131H147ClF3N17O18 — CID 159748724
1-[4-(2-amino-7-methoxyquinolin-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;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone;1-[1-methyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone (PubChem CID 159748724) has the molecular formula C131H147ClF3N17O18 and a molecular weight of 2340.16 g/mol. Its IUPAC name is 1-[4-(2-amino-7-methoxyquinolin-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;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone;1-[1-methyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone.
| Compound Name | 1-[4-(2-amino-7-methoxyquinolin-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;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone;1-[1-methyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone |
|---|---|
| PubChem CID | 159748724 |
| Molecular Formula | C131H147ClF3N17O18 |
| Molecular Weight | 2340.16 g/mol |
| Exact Mass | 2338.08 |
| IUPAC Name | 1-[4-(2-amino-7-methoxyquinolin-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;1-[4-(7-methoxyquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-(1-methyl-4-quinolin-4-yloxypyrrolidin-2-yl)ethanone;1-[1-methyl-4-[7-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-2-yl]ethanone |
| SMILES | CC(=O)C1CC(Oc2cccc3cnccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(C(F)(F)F)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3cc(Cl)ccc23)CN1C.CC(=O)C1CC(Oc2ccnc3ccccc23)CN1C.CC(=O)C1CC(Oc2cncc3ccccc23)CN1C.CC(=O)C1CC(Oc2nccc3ccccc23)CN1C.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(N)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)ccnc2c1 |
| InChI | InChI=1S/C17H17F3N2O2.C17H21N3O3.C17H20N2O3.C16H17ClN2O2.4C16H18N2O2/c1-10(23)15-8-12(9-22(15)2)24-16-5-6-21-14-7-11(17(18,19)20)3-4-13(14)16;1-10(21)15-7-12(9-20(15)2)23-16-8-17(18)19-14-6-11(22-3)4-5-13(14)16;1-11(20)16-9-13(10-19(16)2)22-17-6-7-18-15-8-12(21-3)4-5-14(15)17;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/h3-7,12,15H,8-9H2,1-2H3;4-6,8,12,15H,7,9H2,1-3H3,(H2,18,19);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 | NDJMQUMWCBTHCW-UHFFFAOYSA-N |
| XLogP | 19.47 |
| TPSA | 383.92 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2340.16 |
| LogP ≤ 5 | 19.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 35 |