2-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
Formula:C21H13N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C21H13N3OCl2S |
| Smiles | O=C(c1cc(-c(cc2)cc(Cl)c2Cl)nc2ccccc12)N/N=C\c1cccs1 |
| InChI | InChI=1S/C21H13Cl2N3OS/c22-17-8-7-13(10-18(17)23)20-11-16(15-5-1-2-6-19(15)25-20)21(27)26-24-12-14-4-3-9-28-14/h1-12H,(H,26,27) |
| InChIK | IQECREKXYJWHJY-UHFFFAOYSA-N |
| TotalMolweight | 426.326 |
| Molweight | 426.326 |
| MonoisotopicMass | 425.015636 |
| CLogP | 6.3464 |
| CLogS | -7.687 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.89 |
| Relative PSA | 0.21943 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 6.003 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide | 2 - 2-(3,4-dichlorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off