2-(4-chlorophenyl)-N-[(Z)-(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
Formula:C22H18N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-(3-oxocyclohexylidene)amino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(3-oxocyclohexylidene)amino]quinoline-4-carboxamide |
| MolecularFormula | C22H18N3O2Cl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C(/CCC1)\CC1=O |
| InChI | InChI=1S/C22H18ClN3O2/c23-15-10-8-14(9-11-15)21-13-19(18-6-1-2-7-20(18)24-21)22(28)26-25-16-4-3-5-17(27)12-16/h1-2,6-11,13H,3-5,12H2,(H,26,28) |
| InChIK | MYBMIUIPZYWCCN-UHFFFAOYSA-N |
| TotalMolweight | 391.857 |
| Molweight | 391.857 |
| MonoisotopicMass | 391.108754 |
| CLogP | 4.9161 |
| CLogS | -6.455 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.27 |
| Relative PSA | 0.20466 |
| PolarSurfaceArea | 71.42 |
| Druglikeness | -0.99019 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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