2-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C22H14N3OF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C22H14N3OF3S |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H14F3N3OS/c23-22(24,25)15-9-7-14(8-10-15)13-26-28-21(29)17-12-19(20-6-3-11-30-20)27-18-5-2-1-4-16(17)18/h1-13H,(H,28,29) |
| InChIK | NUNSCPRPSMDLDW-UHFFFAOYSA-N |
| TotalMolweight | 425.433 |
| Molweight | 425.433 |
| MonoisotopicMass | 425.080966 |
| CLogP | 6.1396 |
| CLogS | -6.904 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.51 |
| Relative PSA | 0.22042 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | -1.211 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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