2-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C23H15N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H15N3OCl2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H15Cl2N3O/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)27-22)23(29)28-26-14-16-5-1-3-7-20(16)25/h1-14H,(H,28,29) |
| InChIK | UTXDVOXKDAWMGY-UHFFFAOYSA-N |
| TotalMolweight | 420.298 |
| Molweight | 420.298 |
| MonoisotopicMass | 419.059216 |
| CLogP | 6.4798 |
| CLogS | -7.677 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.95 |
| Relative PSA | 0.15109 |
| 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 | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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