2-(4-chlorophenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide
Formula:C21H14N3OClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-thiophen-3-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C21H14N3OClS |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)nc2ccccc12)N/N=C\c1cscc1 |
| InChI | InChI=1S/C21H14ClN3OS/c22-16-7-5-15(6-8-16)20-11-18(17-3-1-2-4-19(17)24-20)21(26)25-23-12-14-9-10-27-13-14/h1-13H,(H,25,26) |
| InChIK | WWTLYBWFHSBEQY-UHFFFAOYSA-N |
| TotalMolweight | 391.881 |
| Molweight | 391.881 |
| MonoisotopicMass | 391.054609 |
| CLogP | 5.6582 |
| CLogS | -6.841 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.47 |
| Relative PSA | 0.23104 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.9428 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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