N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-phenylmethoxybenzamide
Formula:C24H18N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-phenylmethoxybenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-phenylmethoxybenzamide |
| MolecularFormula | C24H18N3O2Cl |
| Smiles | O=C(c(cccc1)c1OCc1ccccc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C24H18ClN3O2/c25-23-19(14-18-10-4-6-12-21(18)27-23)15-26-28-24(29)20-11-5-7-13-22(20)30-16-17-8-2-1-3-9-17/h1-15H,16H2,(H,28,29) |
| InChIK | CTMKFBNUMOIVQN-UHFFFAOYSA-N |
| TotalMolweight | 415.879 |
| Molweight | 415.879 |
| MonoisotopicMass | 415.108754 |
| CLogP | 5.5691 |
| CLogS | -6.267 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.29 |
| Relative PSA | 0.17846 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0514 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-phenylmethoxybenzamide | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-phenylmethoxybenzamide
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