N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
Formula:C28H21N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C28H21N3O2 |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(c1ccccc1cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H21N3O2/c32-28(26-16-14-22-11-5-7-13-25(22)30-26)31-29-18-24-23-12-6-4-10-21(23)15-17-27(24)33-19-20-8-2-1-3-9-20/h1-18H,19H2,(H,31,32) |
| InChIK | CYZDQTVRKOKJTM-UHFFFAOYSA-N |
| TotalMolweight | 431.494 |
| Molweight | 431.494 |
| MonoisotopicMass | 431.163377 |
| CLogP | 6.1141 |
| CLogS | -7.398 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.47 |
| Relative PSA | 0.16835 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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