N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C17H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C17H11N3O2Cl2 |
| Smiles | O=C(C(c(cccc1)c1N1)=CC1=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H11Cl2N3O2/c18-11-6-5-10(14(19)7-11)9-20-22-17(24)13-8-16(23)21-15-4-2-1-3-12(13)15/h1-9H,(H,21,23)(H,22,24) |
| InChIK | HUULUBGKMRNIHP-UHFFFAOYSA-N |
| TotalMolweight | 360.199 |
| Molweight | 360.199 |
| MonoisotopicMass | 359.022831 |
| CLogP | 3.0179 |
| CLogS | -5.18 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.25 |
| Relative PSA | 0.23431 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.3336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
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