(6-chloro-4-morpholin-4-ylquinolin-3-yl)-phenylmethanone
Formula:C20H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6-chloro-4-morpholin-4-ylquinolin-3-yl)-phenylmethanone is a drug-like molecule.
| MolName | (6-chloro-4-morpholin-4-ylquinolin-3-yl)-phenylmethanone |
| MolecularFormula | C20H17N2O2Cl |
| Smiles | O=C(c1ccccc1)c1cnc(ccc(Cl)c2)c2c1N1CCOCC1 |
| InChI | InChI=1S/C20H17ClN2O2/c21-15-6-7-18-16(12-15)19(23-8-10-25-11-9-23)17(13-22-18)20(24)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2 |
| InChIK | OGRUWBRGKVUALU-UHFFFAOYSA-N |
| TotalMolweight | 352.82 |
| Molweight | 352.82 |
| MonoisotopicMass | 352.097855 |
| CLogP | 3.3806 |
| CLogS | -5.261 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.39 |
| Relative PSA | 0.14369 |
| PolarSurfaceArea | 42.43 |
| Druglikeness | 1.5684 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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