N-[(Z)-(4-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
Formula:C18H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-quinolin-8-yloxyacetamide |
| MolecularFormula | C18H14N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc2cccc3cccnc23)=O)cc1)=O |
| InChI | InChI=1S/C18H14N4O4/c23-17(21-20-11-13-6-8-15(9-7-13)22(24)25)12-26-16-5-1-3-14-4-2-10-19-18(14)16/h1-11H,12H2,(H,21,23) |
| InChIK | CBOULLKKCHCUHZ-UHFFFAOYSA-N |
| TotalMolweight | 350.333 |
| Molweight | 350.333 |
| MonoisotopicMass | 350.101506 |
| CLogP | 2.1709 |
| CLogS | -4.667 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 267.78 |
| Relative PSA | 0.32639 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.93238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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