N-[(Z)-benzylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H17N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H17N3O |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H17N3O/c27-23(26-24-16-17-9-3-1-4-10-17)20-15-22(18-11-5-2-6-12-18)25-21-14-8-7-13-19(20)21/h1-16H,(H,26,27) |
| InChIK | MCRJZBYOUNCZAQ-UHFFFAOYSA-N |
| TotalMolweight | 351.408 |
| Molweight | 351.408 |
| MonoisotopicMass | 351.137162 |
| CLogP | 5.2678 |
| CLogS | -6.205 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 280.11 |
| Relative PSA | 0.16772 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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