C108H87F6N15O6 — CID 158854684
2,3-dimethyl-11H-indolo[3,2-c]quinoline-9-carboxamide;N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide;2,3-dimethyl-9-nitro-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethoxy)-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethyl)-11H-indolo[3,2-c]quinoline;9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline (PubChem CID 158854684) has the molecular formula C108H87F6N15O6 and a molecular weight of 1804.97 g/mol. Its IUPAC name is 2,3-dimethyl-11H-indolo[3,2-c]quinoline-9-carboxamide;N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide;2,3-dimethyl-9-nitro-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethoxy)-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethyl)-11H-indolo[3,2-c]quinoline;9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline.
| Compound Name | 2,3-dimethyl-11H-indolo[3,2-c]quinoline-9-carboxamide;N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide;2,3-dimethyl-9-nitro-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethoxy)-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethyl)-11H-indolo[3,2-c]quinoline;9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline |
|---|---|
| PubChem CID | 158854684 |
| Molecular Formula | C108H87F6N15O6 |
| Molecular Weight | 1804.97 g/mol |
| Exact Mass | 1803.69 |
| IUPAC Name | 2,3-dimethyl-11H-indolo[3,2-c]quinoline-9-carboxamide;N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide;2,3-dimethyl-9-nitro-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethoxy)-11H-indolo[3,2-c]quinoline;2,3-dimethyl-9-(trifluoromethyl)-11H-indolo[3,2-c]quinoline;9-methoxy-2,3-dimethyl-11H-indolo[3,2-c]quinoline |
| SMILES | CC(=O)Nc1ccc2c(c1)[nH]c1c3cc(C)c(C)cc3ncc21.COc1ccc2c(c1)[nH]c1c3cc(C)c(C)cc3ncc21.Cc1cc2ncc3c4ccc(C(F)(F)F)cc4[nH]c3c2cc1C.Cc1cc2ncc3c4ccc(C(N)=O)cc4[nH]c3c2cc1C.Cc1cc2ncc3c4ccc(OC(F)(F)F)cc4[nH]c3c2cc1C.Cc1cc2ncc3c4ccc([N+](=O)[O-])cc4[nH]c3c2cc1C |
| InChI | InChI=1S/C19H17N3O.C18H13F3N2O.C18H13F3N2.C18H15N3O.C18H16N2O.C17H13N3O2/c1-10-6-15-17(7-11(10)2)20-9-16-14-5-4-13(21-12(3)23)8-18(14)22-19(15)16;1-9-5-13-15(6-10(9)2)22-8-14-12-4-3-11(24-18(19,20)21)7-16(12)23-17(13)14;1-9-5-13-15(6-10(9)2)22-8-14-12-4-3-11(18(19,20)21)7-16(12)23-17(13)14;1-9-5-13-15(6-10(9)2)20-8-14-12-4-3-11(18(19)22)7-16(12)21-17(13)14;1-10-6-14-16(7-11(10)2)19-9-15-13-5-4-12(21-3)8-17(13)20-18(14)15;1-9-5-13-15(6-10(9)2)18-8-14-12-4-3-11(20(21)22)7-16(12)19-17(13)14/h4-9,22H,1-3H3,(H,21,23);3-8,23H,1-2H3;3-8,23H,1-2H3;3-8,21H,1-2H3,(H2,19,22);4-9,20H,1-3H3;3-8,19H,1-2H3 |
| InChIKey | IZWYRZNGDNNUOI-UHFFFAOYSA-N |
| XLogP | 27.81 |
| TPSA | 305.87 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1804.97 |
| LogP ≤ 5 | 27.81 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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