2-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]quinoline-4-carboxamide
Formula:C25H17N4O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]quinoline-4-carboxamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]quinoline-4-carboxamide |
| MolecularFormula | C25H17N4O3Cl |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2cc(-c(cc3)ccc3Cl)nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C25H17ClN4O3/c26-19-13-11-17(12-14-19)23-16-21(20-8-2-3-9-22(20)28-23)25(31)29-27-15-5-7-18-6-1-4-10-24(18)30(32)33/h1-16H,(H,29,31) |
| InChIK | FYPHUNNCOXRBIR-UHFFFAOYSA-N |
| TotalMolweight | 456.888 |
| Molweight | 456.888 |
| MonoisotopicMass | 456.098918 |
| CLogP | 4.9705 |
| CLogS | -7.693 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 345.7 |
| Relative PSA | 0.22389 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.68653 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 |
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1 - 2-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]quinoline-4-carboxamide | 2 - 2-(4-chlorophenyl)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]quinoline-4-carboxamide
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