2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Formula:C28H19N4O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide |
| MolecularFormula | C28H19N4O5Cl |
| Smiles | [O-][N+](c1ccc(/C=N\NC(COc(cc2)ccc2-c2cc(-c3ccccc3)c(cc(cc3)Cl)c3n2)=O)o1)=O |
| InChI | InChI=1S/C28H19ClN4O5/c29-20-8-12-25-24(14-20)23(18-4-2-1-3-5-18)15-26(31-25)19-6-9-21(10-7-19)37-17-27(34)32-30-16-22-11-13-28(38-22)33(35)36/h1-16H,17H2,(H,32,34) |
| InChIK | MKDMUIWBUDOVSK-UHFFFAOYSA-N |
| TotalMolweight | 526.935 |
| Molweight | 526.935 |
| MonoisotopicMass | 526.104398 |
| CLogP | 5.7264 |
| CLogS | -9.474 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 392.41 |
| Relative PSA | 0.25868 |
| PolarSurfaceArea | 122.54 |
| Druglikeness | 3.0406 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide | 2 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]acetamide
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