6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
Formula:C23H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C23H15N2O2Cl |
| Smiles | O=C(/C=C/c1ncccc1)C1=C(c2ccccc2)c(cc(cc2)Cl)c2NC1=O |
| InChI | InChI=1S/C23H15ClN2O2/c24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h1-14H,(H,26,28) |
| InChIK | KSDWHCKHPLWNBX-UHFFFAOYSA-N |
| TotalMolweight | 386.837 |
| Molweight | 386.837 |
| MonoisotopicMass | 386.082205 |
| CLogP | 3.7189 |
| CLogS | -5.168 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.84 |
| Relative PSA | 0.16737 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | 3.7191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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