N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]quinolin-2-amine
Formula:C28H22N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]quinolin-2-amine |
| MolecularFormula | C28H22N4 |
| Smiles | C(c(cc1)ccc1N(c1ccccc1)c1ccccc1)=N\Nc1nc2ccccc2cc1 |
| InChI | InChI=1S/C28H22N4/c1-3-10-24(11-4-1)32(25-12-5-2-6-13-25)26-18-15-22(16-19-26)21-29-31-28-20-17-23-9-7-8-14-27(23)30-28/h1-21H,(H,30,31) |
| InChIK | UHTNOQJZOCSDIU-UHFFFAOYSA-N |
| TotalMolweight | 414.511 |
| Molweight | 414.511 |
| MonoisotopicMass | 414.184446 |
| CLogP | 8.1027 |
| CLogS | -8.556 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.42 |
| Relative PSA | 0.11278 |
| PolarSurfaceArea | 40.52 |
| Druglikeness | 3.1892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]quinolin-2-amine | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]quinolin-2-amine
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