N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C19H13N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C19H13N3O2S |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c1ccco1 |
| InChI | InChI=1S/C19H13N3O2S/c23-19(22-20-12-13-5-3-9-24-13)15-11-17(18-8-4-10-25-18)21-16-7-2-1-6-14(15)16/h1-12H,(H,22,23) |
| InChIK | GZJVVGCZEJZZKW-UHFFFAOYSA-N |
| TotalMolweight | 347.397 |
| Molweight | 347.397 |
| MonoisotopicMass | 347.072847 |
| CLogP | 4.48 |
| CLogS | -5.808 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.74 |
| Relative PSA | 0.3065 |
| PolarSurfaceArea | 95.73 |
| Druglikeness | 5.4833 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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