N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine
Formula:C23H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C23H19N3O |
| Smiles | C(c1ccccc1)Oc1cc(/C=N\Nc2nc3ccccc3cc2)ccc1 |
| InChI | InChI=1S/C23H19N3O/c1-2-7-18(8-3-1)17-27-21-11-6-9-19(15-21)16-24-26-23-14-13-20-10-4-5-12-22(20)25-23/h1-16H,17H2,(H,25,26) |
| InChIK | MHJRCYJZHVMZMS-UHFFFAOYSA-N |
| TotalMolweight | 353.424 |
| Molweight | 353.424 |
| MonoisotopicMass | 353.152812 |
| CLogP | 6.8564 |
| CLogS | -5.721 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.12 |
| Relative PSA | 0.15357 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 1.6288 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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