C135H97Cl2F9N14O2 — CID 159618049
8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline (PubChem CID 159618049) has the molecular formula C135H97Cl2F9N14O2 and a molecular weight of 2189.24 g/mol. Its IUPAC name is 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline.
| Compound Name | 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline |
|---|---|
| PubChem CID | 159618049 |
| Molecular Formula | C135H97Cl2F9N14O2 |
| Molecular Weight | 2189.24 g/mol |
| Exact Mass | 2186.72 |
| IUPAC Name | 8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;7-methyl-2-(7-methyl-1H-indol-3-yl)quinoline;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline |
| SMILES | C#Cc1cc(F)cc2c(-c3ccc4c(C(=O)NC)cccc4n3)c[nH]c12.CNC(=O)c1cccc2nc(-c3c[nH]c4cc(C)c(F)cc34)ccc12.Cc1c(F)cc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c2c1F.Cc1cc(F)cc2c(-c3ccc4cccc(F)c4n3)c[nH]c12.Cc1ccc2c(c1C)CC=C2c1ccc2cccc(Cl)c2n1.Cc1ccc2ccc(-c3c[nH]c4c(C)cccc34)nc2c1.Cc1ccc2nc(C3=CCc4c3cc(F)c(F)c4F)ccc2c1 |
| InChI | InChI=1S/C21H14FN3O.C20H16ClN.C20H16FN3O.C19H12F3N.C19H16N2.C18H11ClF2N2.C18H12F2N2/c1-3-12-9-13(22)10-16-17(11-24-20(12)16)19-8-7-14-15(21(26)23-2)5-4-6-18(14)25-19;1-12-6-8-16-15(13(12)2)9-10-17(16)19-11-7-14-4-3-5-18(21)20(14)22-19;1-11-8-19-14(9-16(11)21)15(10-23-19)18-7-6-12-13(20(25)22-2)4-3-5-17(12)24-18;1-10-2-6-16-11(8-10)3-7-17(23-16)12-4-5-13-14(12)9-15(20)19(22)18(13)21;1-12-6-7-14-8-9-17(21-18(14)10-12)16-11-20-19-13(2)4-3-5-15(16)19;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-10-7-12(19)8-13-14(9-21-17(10)13)16-6-5-11-3-2-4-15(20)18(11)22-16/h1,4-11,24H,2H3,(H,23,26);3-8,10-11H,9H2,1-2H3;3-10,23H,1-2H3,(H,22,25);2-4,6-9H,5H2,1H3;3-11,20H,1-2H3;2-8,22H,1H3;2-9,21H,1H3 |
| InChIKey | MNNOFYDAGSUILG-UHFFFAOYSA-N |
| XLogP | 34.09 |
| TPSA | 227.38 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2189.24 |
| LogP ≤ 5 | 34.09 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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