2-naphthalen-2-yloxy-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
Formula:C22H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-2-yloxy-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-naphthalen-2-yloxy-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide |
| MolecularFormula | C22H17N3O2 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C22H17N3O2/c26-21(15-27-20-11-10-16-5-1-2-6-18(16)13-20)25-24-14-19-8-3-7-17-9-4-12-23-22(17)19/h1-14H,15H2,(H,25,26) |
| InChIK | KFOQOBMXYIOTRS-UHFFFAOYSA-N |
| TotalMolweight | 355.396 |
| Molweight | 355.396 |
| MonoisotopicMass | 355.132077 |
| CLogP | 4.2869 |
| CLogS | -5.813 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.71 |
| Relative PSA | 0.20444 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.1966 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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