N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C22H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C22H16N3O2Cl |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C22H16ClN3O2/c23-22-17(12-16-7-2-4-10-19(16)25-22)13-24-26-21(27)14-28-20-11-5-8-15-6-1-3-9-18(15)20/h1-13H,14H2,(H,26,27) |
| InChIK | JYYHZAFZNAUUBM-UHFFFAOYSA-N |
| TotalMolweight | 389.841 |
| Molweight | 389.841 |
| MonoisotopicMass | 389.093104 |
| CLogP | 4.9903 |
| CLogS | -6.312 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 294.13 |
| Relative PSA | 0.19372 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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