N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
Formula:C25H18N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C25H18N4O3 |
| Smiles | [O-][N+](c1c(/C=C\C=N/NC(c2cc(-c3ccccc3)nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C25H18N4O3/c30-25(28-26-16-8-12-19-11-4-7-15-24(19)29(31)32)21-17-23(18-9-2-1-3-10-18)27-22-14-6-5-13-20(21)22/h1-17H,(H,28,30) |
| InChIK | HLFCFFFFSAGQJM-UHFFFAOYSA-N |
| TotalMolweight | 422.443 |
| Molweight | 422.443 |
| MonoisotopicMass | 422.137891 |
| CLogP | 4.3645 |
| CLogS | -6.957 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 330.28 |
| Relative PSA | 0.23435 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.71953 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide | 2 - N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off