2-(4-chlorophenyl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]quinoline-4-carboxamide
Formula:C24H16N3O2ClF2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C24H16N3O2ClF2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C24H16ClF2N3O2/c25-17-11-9-15(10-12-17)21-13-19(18-6-2-3-7-20(18)29-21)23(31)30-28-14-16-5-1-4-8-22(16)32-24(26)27/h1-14,24H,(H,30,31) |
| InChIK | KHEYFKFTJHITBV-UHFFFAOYSA-N |
| TotalMolweight | 451.859 |
| Molweight | 451.859 |
| MonoisotopicMass | 451.08991 |
| CLogP | 6.0432 |
| CLogS | -7.563 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 330.73 |
| Relative PSA | 0.17229 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.5465 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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