C126H108N24O6 — CID 157167249
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 157167249) has the molecular formula C126H108N24O6 and a molecular weight of 2054.41 g/mol. Its IUPAC name is 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol.
| Compound Name | 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol |
|---|---|
| PubChem CID | 157167249 |
| Molecular Formula | C126H108N24O6 |
| Molecular Weight | 2054.41 g/mol |
| Exact Mass | 2052.89 |
| IUPAC Name | 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-2-ylmethyl]quinolin-8-ol;7-[[(6-methyl-2-pyridinyl)amino]-pyridin-3-ylmethyl]quinolin-8-ol;7-[pyridin-2-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol;7-[pyridin-3-yl-(pyridin-2-ylamino)methyl]quinolin-8-ol |
| SMILES | Cc1cccc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)n1.Cc1cccc(NC(c2ccccn2)c2ccc3cccnc3c2O)n1.Cc1cccc(NC(c2cccnc2)c2ccc3ccc(C)nc3c2O)n1.Cc1cccc(NC(c2cccnc2)c2ccc3cccnc3c2O)n1.Oc1c(C(Nc2ccccn2)c2ccccn2)ccc2cccnc12.Oc1c(C(Nc2ccccn2)c2cccnc2)ccc2cccnc12 |
| InChI | InChI=1S/2C22H20N4O.2C21H18N4O.2C20H16N4O/c1-14-5-3-7-19(24-14)26-20(17-6-4-12-23-13-17)18-11-10-16-9-8-15(2)25-21(16)22(18)27;1-14-6-5-8-19(24-14)26-21(18-7-3-4-13-23-18)17-12-11-16-10-9-15(2)25-20(16)22(17)27;1-14-5-2-8-18(24-14)25-19(16-7-3-11-22-13-16)17-10-9-15-6-4-12-23-20(15)21(17)26;1-14-6-4-9-18(24-14)25-20(17-8-2-3-12-22-17)16-11-10-15-7-5-13-23-19(15)21(16)26;25-20-15(10-9-14-6-5-13-23-18(14)20)19(16-7-1-3-11-21-16)24-17-8-2-4-12-22-17;25-20-16(9-8-14-5-4-12-23-19(14)20)18(15-6-3-10-21-13-15)24-17-7-1-2-11-22-17/h3-13,20,27H,1-2H3,(H,24,26);3-13,21,27H,1-2H3,(H,24,26);2-13,19,26H,1H3,(H,24,25);2-13,20,26H,1H3,(H,24,25);1-13,19,25H,(H,22,24);1-13,18,25H,(H,22,24) |
| InChIKey | ANBFKRRBHQIQED-UHFFFAOYSA-N |
| XLogP | 25.44 |
| TPSA | 425.58 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2054.41 |
| LogP ≤ 5 | 25.44 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'} |
|---|