N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H17N3O2 |
| Smiles | Oc1cccc(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)c1 |
| InChI | InChI=1S/C23H17N3O2/c27-18-10-6-7-16(13-18)15-24-26-23(28)20-14-22(17-8-2-1-3-9-17)25-21-12-5-4-11-19(20)21/h1-15,27H,(H,26,28) |
| InChIK | ZXAAJEPETUWGLI-UHFFFAOYSA-N |
| TotalMolweight | 367.407 |
| Molweight | 367.407 |
| MonoisotopicMass | 367.132077 |
| CLogP | 4.9221 |
| CLogS | -5.909 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.46 |
| Relative PSA | 0.20973 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 4.4204 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off