N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C17H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C17H12N3O2Br |
| Smiles | O=C(C(c(cccc1)c1N1)=CC1=O)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H12BrN3O2/c18-12-7-5-11(6-8-12)10-19-21-17(23)14-9-16(22)20-15-4-2-1-3-13(14)15/h1-10H,(H,20,22)(H,21,23) |
| InChIK | IQSYSXRZRSVSDW-UHFFFAOYSA-N |
| TotalMolweight | 370.205 |
| Molweight | 370.205 |
| MonoisotopicMass | 369.011288 |
| CLogP | 2.5311 |
| CLogS | -4.542 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 246.04 |
| Relative PSA | 0.24594 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.5144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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