N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide
Formula:C25H16N3O3ClF4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(4-chlorophenyl)quinoline-4-carboxamide |
| MolecularFormula | C25H16N3O3ClF4 |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C25H16ClF4N3O3/c26-16-8-5-14(6-9-16)21-12-19(18-3-1-2-4-20(18)32-21)23(34)33-31-13-15-7-10-17(35-24(27)28)11-22(15)36-25(29)30/h1-13,24-25H,(H,33,34) |
| InChIK | KFWSHZKLFYKHCC-UHFFFAOYSA-N |
| TotalMolweight | 517.865 |
| Molweight | 517.865 |
| MonoisotopicMass | 517.081631 |
| CLogP | 6.2126 |
| CLogS | -8.185 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.93 |
| Relative PSA | 0.18304 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 1.5465 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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