C113H82ClF10N13O2 — CID 158308008
8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 158308008) has the molecular formula C113H82ClF10N13O2 and a molecular weight of 1879.42 g/mol. Its IUPAC name is 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline.
| Compound Name | 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline |
|---|---|
| PubChem CID | 158308008 |
| Molecular Formula | C113H82ClF10N13O2 |
| Molecular Weight | 1879.42 g/mol |
| Exact Mass | 1877.62 |
| IUPAC Name | 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;7-fluoro-2-(5-fluoro-6-methyl-1H-indol-3-yl)quinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;6-methyl-2-(7-methyl-1H-indol-3-yl)quinoline |
| SMILES | CC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1ccc(Cl)c2nc(-c3c[nH]c4c(F)c(C)c(F)cc34)ccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc2[nH]cc(-c3ccc4ccc(F)cc4n3)c2cc1F.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4c(C)cccc34)ccc2c1 |
| InChI | InChI=1S/C20H14ClF2N3O.C19H11F5N2.C19H16N2O.C19H16N2.C18H12F2N2.C18H13FN2/c1-9-15(22)7-12-13(8-25-19(12)17(9)23)16-6-4-10-11(20(27)24-2)3-5-14(21)18(10)26-16;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-6-8-17-14(10-12)7-9-18(21-17)16-11-20-19-13(2)4-3-5-15(16)19;1-10-6-18-13(8-15(10)20)14(9-21-18)16-5-3-11-2-4-12(19)7-17(11)22-16;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16/h3-8,25H,1-2H3,(H,24,27);2-8,25H,1H3;3-11,20H,1-2H3;3-11,20H,1-2H3;2-9,21H,1H3;2-10,20H,1H3 |
| InChIKey | GNIDRZHURMCRRN-UHFFFAOYSA-N |
| XLogP | 30.40 |
| TPSA | 210.41 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 139 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1879.42 |
| LogP ≤ 5 | 30.40 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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