2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
Formula:C21H15N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C21H15N3OS |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c1cccs1 |
| InChI | InChI=1S/C21H15N3OS/c25-21(24-22-14-16-9-6-12-26-16)18-13-20(15-7-2-1-3-8-15)23-19-11-5-4-10-17(18)19/h1-14H,(H,24,25) |
| InChIK | ULZZAIJMRRWYHU-UHFFFAOYSA-N |
| TotalMolweight | 357.436 |
| Molweight | 357.436 |
| MonoisotopicMass | 357.093582 |
| CLogP | 5.1344 |
| CLogS | -6.215 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.05 |
| Relative PSA | 0.24394 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 5.979 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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