N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Formula:C30H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C30H20N4O |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c(cc3)ccc3-c3ccccc3)nc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C30H20N4O/c31-19-21-10-12-22(13-11-21)20-32-34-30(35)27-18-29(33-28-9-5-4-8-26(27)28)25-16-14-24(15-17-25)23-6-2-1-3-7-23/h1-18,20H,(H,34,35) |
| InChIK | YQYVDUSECSSQOA-UHFFFAOYSA-N |
| TotalMolweight | 452.516 |
| Molweight | 452.516 |
| MonoisotopicMass | 452.163711 |
| CLogP | 6.7626 |
| CLogS | -9.064 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 361.58 |
| Relative PSA | 0.16743 |
| PolarSurfaceArea | 78.14 |
| Druglikeness | 0.18871 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide | 2 - N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off