4-azido-1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]quinolin-2-one
Formula:C22H16N6O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-azido-1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]quinolin-2-one is not a drug-like molecule.
| MolName | 4-azido-1-phenyl-3-[(Z)-(phenylhydrazinylidene)methyl]quinolin-2-one |
| MolecularFormula | C22H16N6O |
| Smiles | [N-]=[N+]=NC(c(cccc1)c1N1c2ccccc2)=C(/C=N\Nc2ccccc2)C1=O |
| InChI | InChI=1S/C22H16N6O/c23-27-26-21-18-13-7-8-14-20(18)28(17-11-5-2-6-12-17)22(29)19(21)15-24-25-16-9-3-1-4-10-16/h1-15,25H |
| InChIK | PIWYKAGLXFJXPV-UHFFFAOYSA-N |
| TotalMolweight | 380.41 |
| Molweight | 380.41 |
| MonoisotopicMass | 380.138559 |
| CLogP | 5.5204 |
| CLogS | -5.313 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 297.11 |
| Relative PSA | 0.25899 |
| PolarSurfaceArea | 70.66 |
| Druglikeness | 4.0133 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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