4-phenyl-3-[(E)-3-quinolin-7-ylprop-2-enoyl]-1H-quinolin-2-one
Formula:C27H18N2O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
4-phenyl-3-[(E)-3-quinolin-7-ylprop-2-enoyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 4-phenyl-3-[(E)-3-quinolin-7-ylprop-2-enoyl]-1H-quinolin-2-one |
| MolecularFormula | C27H18N2O2 |
| Smiles | O=C(/C=C/c1cc2ncccc2cc1)C1=C(c2ccccc2)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C27H18N2O2/c30-24(15-13-18-12-14-19-9-6-16-28-23(19)17-18)26-25(20-7-2-1-3-8-20)21-10-4-5-11-22(21)29-27(26)31/h1-17H,(H,29,31) |
| InChIK | ZOTKFBWPQIKPLK-UHFFFAOYSA-N |
| TotalMolweight | 402.452 |
| Molweight | 402.452 |
| MonoisotopicMass | 402.136828 |
| CLogP | 4.3758 |
| CLogS | -5.909 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.02 |
| Relative PSA | 0.15698 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | 3.6722 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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