2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-cyanophenyl)methylideneamino]acetamide
Formula:C31H21N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-cyanophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-cyanophenyl)methylideneamino]acetamide |
| MolecularFormula | C31H21N4O2Cl |
| Smiles | N#Cc1c(/C=N\NC(COc(cc2)ccc2-c2cc(-c3ccccc3)c(cc(cc3)Cl)c3n2)=O)cccc1 |
| InChI | InChI=1S/C31H21ClN4O2/c32-25-12-15-29-28(16-25)27(21-6-2-1-3-7-21)17-30(35-29)22-10-13-26(14-11-22)38-20-31(37)36-34-19-24-9-5-4-8-23(24)18-33/h1-17,19H,20H2,(H,36,37) |
| InChIK | PFIUQJLLLJJLOI-UHFFFAOYSA-N |
| TotalMolweight | 516.987 |
| Molweight | 516.987 |
| MonoisotopicMass | 516.135303 |
| CLogP | 6.9435 |
| CLogS | -9.58 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 400.76 |
| Relative PSA | 0.17602 |
| PolarSurfaceArea | 87.37 |
| Druglikeness | -0.052232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-cyanophenyl)methylideneamino]acetamide | 2 - 2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-cyanophenyl)methylideneamino]acetamide
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