C145H109N11O9 — CID 158178006
ethyl 6-(3-methoxy-4-methylphenyl)indolizino[3,2-c]quinoline-12-carboxylate;ethyl 6-naphthalen-2-ylindolizino[3,2-c]quinoline-12-carboxylate;9-(3-methoxy-5-methylphenyl)-6-(4-methylphenyl)indolizino[3,2-c]quinoline;9-(3-methoxy-5-methylphenyl)-6-naphthalen-1-ylindolizino[3,2-c]quinoline;6-(4-methylphenyl)-9-(4-nitrophenyl)indolizino[3,2-c]quinoline (PubChem CID 158178006) has the molecular formula C145H109N11O9 and a molecular weight of 2149.53 g/mol. Its IUPAC name is ethyl 6-(3-methoxy-4-methylphenyl)indolizino[3,2-c]quinoline-12-carboxylate;ethyl 6-naphthalen-2-ylindolizino[3,2-c]quinoline-12-carboxylate;9-(3-methoxy-5-methylphenyl)-6-(4-methylphenyl)indolizino[3,2-c]quinoline;9-(3-methoxy-5-methylphenyl)-6-naphthalen-1-ylindolizino[3,2-c]quinoline;6-(4-methylphenyl)-9-(4-nitrophenyl)indolizino[3,2-c]quinoline.
| Compound Name | ethyl 6-(3-methoxy-4-methylphenyl)indolizino[3,2-c]quinoline-12-carboxylate;ethyl 6-naphthalen-2-ylindolizino[3,2-c]quinoline-12-carboxylate;9-(3-methoxy-5-methylphenyl)-6-(4-methylphenyl)indolizino[3,2-c]quinoline;9-(3-methoxy-5-methylphenyl)-6-naphthalen-1-ylindolizino[3,2-c]quinoline;6-(4-methylphenyl)-9-(4-nitrophenyl)indolizino[3,2-c]quinoline |
|---|---|
| PubChem CID | 158178006 |
| Molecular Formula | C145H109N11O9 |
| Molecular Weight | 2149.53 g/mol |
| Exact Mass | 2147.84 |
| IUPAC Name | ethyl 6-(3-methoxy-4-methylphenyl)indolizino[3,2-c]quinoline-12-carboxylate;ethyl 6-naphthalen-2-ylindolizino[3,2-c]quinoline-12-carboxylate;9-(3-methoxy-5-methylphenyl)-6-(4-methylphenyl)indolizino[3,2-c]quinoline;9-(3-methoxy-5-methylphenyl)-6-naphthalen-1-ylindolizino[3,2-c]quinoline;6-(4-methylphenyl)-9-(4-nitrophenyl)indolizino[3,2-c]quinoline |
| SMILES | CCOC(=O)c1c2c3ccccc3nc(-c3ccc(C)c(OC)c3)c2n2ccccc12.CCOC(=O)c1c2c3ccccc3nc(-c3ccc4ccccc4c3)c2n2ccccc12.COc1cc(C)cc(-c2ccc3cc4c5ccccc5nc(-c5ccc(C)cc5)c4n3c2)c1.COc1cc(C)cc(-c2ccc3cc4c5ccccc5nc(-c5cccc6ccccc56)c4n3c2)c1.Cc1ccc(-c2nc3ccccc3c3cc4ccc(-c5ccc([N+](=O)[O-])cc5)cn4c23)cc1 |
| InChI | InChI=1S/C33H24N2O.C30H24N2O.C28H19N3O2.C28H20N2O2.C26H22N2O3/c1-21-16-24(18-26(17-21)36-2)23-14-15-25-19-30-28-11-5-6-13-31(28)34-32(33(30)35(25)20-23)29-12-7-9-22-8-3-4-10-27(22)29;1-19-8-10-21(11-9-19)29-30-27(26-6-4-5-7-28(26)31-29)17-24-13-12-22(18-32(24)30)23-14-20(2)15-25(16-23)33-3;1-18-6-8-20(9-7-18)27-28-25(24-4-2-3-5-26(24)29-27)16-23-15-12-21(17-30(23)28)19-10-13-22(14-11-19)31(32)33;1-2-32-28(31)25-23-13-7-8-16-30(23)27-24(25)21-11-5-6-12-22(21)29-26(27)20-15-14-18-9-3-4-10-19(18)17-20;1-4-31-26(29)23-20-11-7-8-14-28(20)25-22(23)18-9-5-6-10-19(18)27-24(25)17-13-12-16(2)21(15-17)30-3/h3-20H,1-2H3;4-18H,1-3H3;2-17H,1H3;3-17H,2H2,1H3;5-15H,4H2,1-3H3 |
| InChIKey | FYFSVCUZUOJSBG-UHFFFAOYSA-N |
| XLogP | 35.68 |
| TPSA | 209.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 165 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2149.53 |
| LogP ≤ 5 | 35.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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