N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-2-phenoxyacetamide
Formula:C26H21N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-2-phenoxyacetamide is a drug-like molecule.
| MolName | N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-2-phenoxyacetamide |
| MolecularFormula | C26H21N2O3Cl |
| Smiles | Oc(c1ncccc11)c(C(/C=C/c2ccccc2)NC(COc2ccccc2)=O)cc1Cl |
| InChI | InChI=1S/C26H21ClN2O3/c27-22-16-21(26(31)25-20(22)12-7-15-28-25)23(14-13-18-8-3-1-4-9-18)29-24(30)17-32-19-10-5-2-6-11-19/h1-16,23,31H,17H2,(H,29,30)/t23-/m0/s1 |
| InChIK | HPNHVAVMMGWFEQ-QHCPKHFHSA-N |
| TotalMolweight | 444.917 |
| Molweight | 444.917 |
| MonoisotopicMass | 444.12407 |
| CLogP | 4.7274 |
| CLogS | -5.481 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 339.88 |
| Relative PSA | 0.17233 |
| PolarSurfaceArea | 71.45 |
| Druglikeness | 1.7765 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-2-phenoxyacetamide | 2 - N-[(E)-1-(5-chloro-8-hydroxyquinolin-7-yl)-3-phenylprop-2-enyl]-2-phenoxyacetamide
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