N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C30H22N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C30H22N3O2Cl |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C30H22ClN3O2/c31-24-16-14-21(15-17-24)20-36-29-13-7-4-10-23(29)19-32-34-30(35)26-18-28(22-8-2-1-3-9-22)33-27-12-6-5-11-25(26)27/h1-19H,20H2,(H,34,35) |
| InChIK | JPTHHYYVVLTHRJ-UHFFFAOYSA-N |
| TotalMolweight | 491.977 |
| Molweight | 491.977 |
| MonoisotopicMass | 491.140054 |
| CLogP | 7.2219 |
| CLogS | -8.282 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 379.05 |
| Relative PSA | 0.15032 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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