2-pyridin-3-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C23H15N4OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-pyridin-3-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-pyridin-3-yl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H15N4OF3 |
| Smiles | O=C(c1cc(-c2cnccc2)nc2ccccc12)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C23H15F3N4O/c24-23(25,26)19-9-3-1-6-15(19)14-28-30-22(31)18-12-21(16-7-5-11-27-13-16)29-20-10-4-2-8-17(18)20/h1-14H,(H,30,31) |
| InChIK | JZVUHKQGSURQNP-UHFFFAOYSA-N |
| TotalMolweight | 420.393 |
| Molweight | 420.393 |
| MonoisotopicMass | 420.119795 |
| CLogP | 5.1152 |
| CLogS | -6.188 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.33 |
| Relative PSA | 0.18795 |
| PolarSurfaceArea | 67.24 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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