5-chloro-7-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
Formula:C24H22N5OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-chloro-7-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is a drug-like molecule.
| MolName | 5-chloro-7-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol |
| MolecularFormula | C24H22N5OCl |
| Smiles | Oc(c1ncccc11)c([C@H](c2ncccc2)N(CC2)CCN2c2ncccc2)cc1Cl |
| InChI | InChI=1S/C24H22ClN5O/c25-19-16-18(24(31)22-17(19)6-5-11-28-22)23(20-7-1-3-9-26-20)30-14-12-29(13-15-30)21-8-2-4-10-27-21/h1-11,16,23,31H,12-15H2/t23-/m1/s1 |
| InChIK | IDQVGMPCYJZAHV-HSZRJFAPSA-N |
| TotalMolweight | 431.926 |
| Molweight | 431.926 |
| MonoisotopicMass | 431.151287 |
| CLogP | 3.5518 |
| CLogS | -3.909 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.07 |
| Relative PSA | 0.16593 |
| PolarSurfaceArea | 65.38 |
| Druglikeness | 4.9758 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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1 - 5-chloro-7-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol | 2 - 5-chloro-7-[(R)-pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
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