N-[(Z)-benzylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C17H13N3O2 |
| Smiles | O=C(C(c(cccc1)c1N1)=CC1=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H13N3O2/c21-16-10-14(13-8-4-5-9-15(13)19-16)17(22)20-18-11-12-6-2-1-3-7-12/h1-11H,(H,19,21)(H,20,22) |
| InChIK | DEWWJBDQMZTHFL-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 1.8059 |
| CLogS | -3.708 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.41 |
| Relative PSA | 0.26608 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.3044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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