N-[(Z)-quinolin-6-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C24H16N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-quinolin-6-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-quinolin-6-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C24H16N4OS |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C24H16N4OS/c29-24(28-26-15-16-9-10-20-17(13-16)5-3-11-25-20)19-14-22(23-8-4-12-30-23)27-21-7-2-1-6-18(19)21/h1-15H,(H,28,29) |
| InChIK | RJBZFBBZIRVPIA-UHFFFAOYSA-N |
| TotalMolweight | 408.484 |
| Molweight | 408.484 |
| MonoisotopicMass | 408.104481 |
| CLogP | 5.6073 |
| CLogS | -6.832 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.41 |
| Relative PSA | 0.25309 |
| PolarSurfaceArea | 95.48 |
| Druglikeness | 5.979 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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