N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
Formula:C24H14N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C24H14N4OCl2 |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c(cc3)cc(Cl)c3Cl)nc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C24H14Cl2N4O/c25-20-10-9-17(11-21(20)26)23-12-19(18-3-1-2-4-22(18)29-23)24(31)30-28-14-16-7-5-15(13-27)6-8-16/h1-12,14H,(H,30,31) |
| InChIK | MPVUFYDLPKLYJV-UHFFFAOYSA-N |
| TotalMolweight | 445.308 |
| Molweight | 445.308 |
| MonoisotopicMass | 444.054465 |
| CLogP | 6.3154 |
| CLogS | -8.45 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.66 |
| Relative PSA | 0.18199 |
| PolarSurfaceArea | 78.14 |
| Druglikeness | 0.19152 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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