N-[(Z)-(4-cyanophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C22H14N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C22H14N4OS |
| Smiles | N#Cc1ccc(/C=N\NC(c2cc(-c3cccs3)nc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C22H14N4OS/c23-13-15-7-9-16(10-8-15)14-24-26-22(27)18-12-20(21-6-3-11-28-21)25-19-5-2-1-4-17(18)19/h1-12,14H,(H,26,27) |
| InChIK | DPZKEJFTETYKBT-UHFFFAOYSA-N |
| TotalMolweight | 382.446 |
| Molweight | 382.446 |
| MonoisotopicMass | 382.088831 |
| CLogP | 5.1269 |
| CLogS | -6.899 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.76 |
| Relative PSA | 0.2717 |
| PolarSurfaceArea | 106.38 |
| Druglikeness | 1.699 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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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