C135H100ClF10N13O2 — CID 158642278
8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;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;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline (PubChem CID 158642278) has the molecular formula C135H100ClF10N13O2 and a molecular weight of 2161.81 g/mol. Its IUPAC name is 8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;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;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline.
| Compound Name | 8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;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;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline |
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| PubChem CID | 158642278 |
| Molecular Formula | C135H100ClF10N13O2 |
| Molecular Weight | 2161.81 g/mol |
| Exact Mass | 2159.77 |
| IUPAC Name | 8-chloro-2-(4,5-dimethyl-3H-inden-1-yl)quinoline;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;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(4-methyl-3H-inden-1-yl)-5-(trifluoromethyl)quinoline;N-methyl-2-(7-methyl-1H-indol-3-yl)quinoline-5-carboxamide;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline |
| SMILES | CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)cccc34)ccc12.CNC(=O)c1cccc2nc(-c3c[nH]c4cc(C)c(F)cc34)ccc12.Cc1cc(F)cc2c(-c3ccc4cccc(F)c4n3)c[nH]c12.Cc1cc(F)cc2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2c(c1C)CC=C2c1ccc2cccc(Cl)c2n1.Cc1ccc2nc(C3=CCc4c3cc(F)c(F)c4F)ccc2c1.Cc1cccc2c1CC=C2c1ccc2c(C(F)(F)F)cccc2n1 |
| InChI | InChI=1S/C20H16ClN.C20H14F3N.C20H16FN3O.C20H17N3O.C19H12F3N.C18H12F2N2.C18H13FN2/c1-12-6-8-16-15(13(12)2)9-10-17(16)19-11-7-14-4-3-5-18(21)20(14)22-19;1-12-4-2-5-14-13(12)8-9-15(14)19-11-10-16-17(20(21,22)23)6-3-7-18(16)24-19;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;1-12-5-3-6-14-16(11-22-19(12)14)18-10-9-13-15(20(24)21-2)7-4-8-17(13)23-18;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;1-10-7-12(19)8-13-14(9-21-17(10)13)16-6-5-11-3-2-4-15(20)18(11)22-16;1-11-8-13(19)9-14-15(10-20-18(11)14)17-7-6-12-4-2-3-5-16(12)21-17/h3-8,10-11H,9H2,1-2H3;2-7,9-11H,8H2,1H3;3-10,23H,1-2H3,(H,22,25);3-11,22H,1-2H3,(H,21,24);2-4,6-9H,5H2,1H3;2-9,21H,1H3;2-10,20H,1H3 |
| InChIKey | IANQNZDYLARQQV-UHFFFAOYSA-N |
| XLogP | 34.03 |
| TPSA | 211.59 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2161.81 |
| LogP ≤ 5 | 34.03 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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