2-(4-chlorophenyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C24H15N3OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C24H15N3OClF3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C24H15ClF3N3O/c25-18-11-7-16(8-12-18)22-13-20(19-3-1-2-4-21(19)30-22)23(32)31-29-14-15-5-9-17(10-6-15)24(26,27)28/h1-14H,(H,31,32) |
| InChIK | QGAKUTWPVNZHII-UHFFFAOYSA-N |
| TotalMolweight | 453.85 |
| Molweight | 453.85 |
| MonoisotopicMass | 453.085573 |
| CLogP | 6.7221 |
| CLogS | -7.719 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 324.99 |
| Relative PSA | 0.14456 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7185 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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