C135H102F10N16O3 — CID 159322100
2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-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 159322100) has the molecular formula C135H102F10N16O3 and a molecular weight of 2186.39 g/mol. Its IUPAC name is 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-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 | 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-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 | 159322100 |
| Molecular Formula | C135H102F10N16O3 |
| Molecular Weight | 2186.39 g/mol |
| Exact Mass | 2184.82 |
| IUPAC Name | 2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(7-ethyl-1H-indol-3-yl)quinoline;2-(5-fluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-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 | CCc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(F)c(F)cc34)ccc12.CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)cc(F)cc34)ccc12.CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)cccc34)ccc12.Cc1cc(F)cc2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(C3=CCc4c3cc(F)c(F)c4F)ccc2c1.Cc1cccc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c12 |
| InChI | InChI=1S/C20H15F2N3O.C20H16FN3O.C20H17N3O.C19H13F3N2.C19H12F3N.C19H16N2.C18H13FN2/c1-10-18(22)15(21)8-13-14(9-24-19(10)13)17-7-6-11-12(20(26)23-2)4-3-5-16(11)25-17;1-11-8-12(21)9-15-16(10-23-19(11)15)18-7-6-13-14(20(25)22-2)4-3-5-17(13)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;1-11-4-2-5-12-14(10-23-18(11)12)17-9-8-13-15(19(20,21)22)6-3-7-16(13)24-17;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;1-2-13-7-5-8-15-16(12-20-19(13)15)18-11-10-14-6-3-4-9-17(14)21-18;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/h3-9,24H,1-2H3,(H,23,26);3-10,23H,1-2H3,(H,22,25);3-11,22H,1-2H3,(H,21,24);2-10,23H,1H3;2-4,6-9H,5H2,1H3;3-12,20H,2H2,1H3;2-10,20H,1H3 |
| InChIKey | LDWXKBUCVPRKEA-UHFFFAOYSA-N |
| XLogP | 33.01 |
| TPSA | 272.27 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2186.39 |
| LogP ≤ 5 | 33.01 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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