2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C24H16N3OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C24H16N3OF3 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C24H16F3N3O/c25-24(26,27)20-12-6-4-10-17(20)15-28-30-23(31)19-14-22(16-8-2-1-3-9-16)29-21-13-7-5-11-18(19)21/h1-15H,(H,30,31) |
| InChIK | BFUPLICIJPXIMF-UHFFFAOYSA-N |
| TotalMolweight | 419.405 |
| Molweight | 419.405 |
| MonoisotopicMass | 419.124546 |
| CLogP | 6.1161 |
| CLogS | -6.983 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.57 |
| Relative PSA | 0.15176 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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