2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C23H13N3OCl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H13N3OCl4 |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)nc2ccccc12)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H13Cl4N3O/c24-15-7-5-14(19(26)10-15)12-28-30-23(31)17-11-22(13-6-8-18(25)20(27)9-13)29-21-4-2-1-3-16(17)21/h1-12H,(H,30,31) |
| InChIK | UVPFYTWJWWRWSS-UHFFFAOYSA-N |
| TotalMolweight | 489.188 |
| Molweight | 489.188 |
| MonoisotopicMass | 486.98127 |
| CLogP | 7.6918 |
| CLogS | -9.149 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.79 |
| Relative PSA | 0.13745 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide | 2 - 2-(3,4-dichlorophenyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
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