C132H112Cl2N22O13 — CID 158186728
2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;3-chloro-5H-benzo[c][1,5]naphthyridin-6-one;2-[3-(diethylamino)propylamino]-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;3-methyl-5H-benzo[c][1,5]naphthyridin-6-one;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one (PubChem CID 158186728) has the molecular formula C132H112Cl2N22O13 and a molecular weight of 2285.39 g/mol. Its IUPAC name is 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;3-chloro-5H-benzo[c][1,5]naphthyridin-6-one;2-[3-(diethylamino)propylamino]-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;3-methyl-5H-benzo[c][1,5]naphthyridin-6-one;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one.
| Compound Name | 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;3-chloro-5H-benzo[c][1,5]naphthyridin-6-one;2-[3-(diethylamino)propylamino]-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;3-methyl-5H-benzo[c][1,5]naphthyridin-6-one;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one |
|---|---|
| PubChem CID | 158186728 |
| Molecular Formula | C132H112Cl2N22O13 |
| Molecular Weight | 2285.39 g/mol |
| Exact Mass | 2282.82 |
| IUPAC Name | 2-chloro-5H-benzo[c][1,5]naphthyridin-6-one;3-chloro-5H-benzo[c][1,5]naphthyridin-6-one;2-[3-(diethylamino)propylamino]-5H-benzo[c][1,5]naphthyridin-6-one;1,5-dihydrobenzo[c][1,5]naphthyridine-2,6-dione;2-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;8-methoxy-5H-benzo[c][1,5]naphthyridin-6-one;3-methyl-5H-benzo[c][1,5]naphthyridin-6-one;2-phenylmethoxy-5H-benzo[c][1,5]naphthyridin-6-one;2-(2-piperidin-1-ylethylamino)-5H-benzo[c][1,5]naphthyridin-6-one |
| SMILES | CCN(CC)CCCNc1ccc2[nH]c(=O)c3ccccc3c2n1.COc1ccc2[nH]c(=O)c3ccccc3c2n1.COc1ccc2c(c1)c(=O)[nH]c1cccnc12.Cc1cnc2c(c1)[nH]c(=O)c1ccccc12.O=c1[nH]c2cc(Cl)cnc2c2ccccc12.O=c1[nH]c2ccc(Cl)nc2c2ccccc12.O=c1[nH]c2ccc(NCCN3CCCCC3)nc2c2ccccc12.O=c1[nH]c2ccc(OCc3ccccc3)nc2c2ccccc12.O=c1ccc2[nH]c(=O)c3ccccc3c2[nH]1 |
| InChI | InChI=1S/C19H22N4O.C19H24N4O.C19H14N2O2.2C13H10N2O2.C13H10N2O.2C12H7ClN2O.C12H8N2O2/c24-19-15-7-3-2-6-14(15)18-16(21-19)8-9-17(22-18)20-10-13-23-11-4-1-5-12-23;1-3-23(4-2)13-7-12-20-17-11-10-16-18(22-17)14-8-5-6-9-15(14)19(24)21-16;22-19-15-9-5-4-8-14(15)18-16(20-19)10-11-17(21-18)23-12-13-6-2-1-3-7-13;1-17-8-4-5-9-10(7-8)13(16)15-11-3-2-6-14-12(9)11;1-17-11-7-6-10-12(15-11)8-4-2-3-5-9(8)13(16)14-10;1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(16)15-11;13-7-5-10-11(14-6-7)8-3-1-2-4-9(8)12(16)15-10;13-10-6-5-9-11(15-10)7-3-1-2-4-8(7)12(16)14-9;15-10-6-5-9-11(14-10)7-3-1-2-4-8(7)12(16)13-9/h2-3,6-9H,1,4-5,10-13H2,(H,20,22)(H,21,24);5-6,8-11H,3-4,7,12-13H2,1-2H3,(H,20,22)(H,21,24);1-11H,12H2,(H,20,22);2-7H,1H3,(H,15,16);2-7H,1H3,(H,14,16);2-7H,1H3,(H,15,16);1-6H,(H,15,16);1-6H,(H,14,16);1-6H,(H,13,16)(H,14,15) |
| InChIKey | FZFOUVCSCFSVTK-UHFFFAOYSA-N |
| XLogP | 23.23 |
| TPSA | 489.95 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2285.39 |
| LogP ≤ 5 | 23.23 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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