4-[(E)-2-quinolin-2-ylethenyl]-1H-quinolin-2-one
Formula:C20H14N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-quinolin-2-ylethenyl]-1H-quinolin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-quinolin-2-ylethenyl]-1H-quinolin-2-one |
| MolecularFormula | C20H14N2O |
| Smiles | O=C1Nc(cccc2)c2C(/C=C/c2nc3ccccc3cc2)=C1 |
| InChI | InChI=1S/C20H14N2O/c23-20-13-15(17-6-2-4-8-19(17)22-20)10-12-16-11-9-14-5-1-3-7-18(14)21-16/h1-13H,(H,22,23) |
| InChIK | VIUMESGPBVTCOA-UHFFFAOYSA-N |
| TotalMolweight | 298.344 |
| Molweight | 298.344 |
| MonoisotopicMass | 298.110613 |
| CLogP | 3.1683 |
| CLogS | -4.411 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.3 |
| Relative PSA | 0.15204 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -0.046153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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