N-[(Z)-(4-cyanophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C24H16N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C24H16N4O |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C24H16N4O/c25-15-17-10-12-18(13-11-17)16-26-28-24(29)21-14-23(19-6-2-1-3-7-19)27-22-9-5-4-8-20(21)22/h1-14,16H,(H,28,29) |
| InChIK | DACPMWZFXUKQRF-UHFFFAOYSA-N |
| TotalMolweight | 376.418 |
| Molweight | 376.418 |
| MonoisotopicMass | 376.132411 |
| CLogP | 5.1034 |
| CLogS | -6.978 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.82 |
| Relative PSA | 0.20058 |
| PolarSurfaceArea | 78.14 |
| Druglikeness | 0.18871 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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