5-chloro-7-[(S)-(4-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Formula:C20H18N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-chloro-7-[(S)-(4-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol is a drug-like molecule.
| MolName | 5-chloro-7-[(S)-(4-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol |
| MolecularFormula | C20H18N2OCl2 |
| Smiles | Oc(c1ncccc11)c([C@@H](c(cc2)ccc2Cl)N2CCCC2)cc1Cl |
| InChI | InChI=1S/C20H18Cl2N2O/c21-14-7-5-13(6-8-14)19(24-10-1-2-11-24)16-12-17(22)15-4-3-9-23-18(15)20(16)25/h3-9,12,19,25H,1-2,10-11H2/t19-/m1/s1 |
| InChIK | IPBPIXNLSBVMCK-LJQANCHMSA-N |
| TotalMolweight | 373.282 |
| Molweight | 373.282 |
| MonoisotopicMass | 372.079617 |
| CLogP | 4.9716 |
| CLogS | -4.958 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.91 |
| Relative PSA | 0.10309 |
| PolarSurfaceArea | 36.36 |
| Druglikeness | 3.5388 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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