2-(4-chlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C23H15N3OClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H15N3OClF |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C23H15ClFN3O/c24-17-9-7-16(8-10-17)22-13-20(19-3-1-2-4-21(19)27-22)23(29)28-26-14-15-5-11-18(25)12-6-15/h1-14H,(H,28,29) |
| InChIK | HOSWTHPCWALQGJ-UHFFFAOYSA-N |
| TotalMolweight | 403.843 |
| Molweight | 403.843 |
| MonoisotopicMass | 403.088767 |
| CLogP | 5.9746 |
| CLogS | -7.255 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.88 |
| Relative PSA | 0.15562 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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