4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one
Formula:C24H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C24H17NO2 |
| Smiles | O=C(/C=C/c1ccccc1)C1=C(c2ccccc2)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C24H17NO2/c26-21(16-15-17-9-3-1-4-10-17)23-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)25-24(23)27/h1-16H,(H,25,27) |
| InChIK | JEJZROYEQZOSRD-UHFFFAOYSA-N |
| TotalMolweight | 351.404 |
| Molweight | 351.404 |
| MonoisotopicMass | 351.125929 |
| CLogP | 4.0598 |
| CLogS | -5.203 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.66 |
| Relative PSA | 0.13618 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | 3.6722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one | 2 - 4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1H-quinolin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off