N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide
Formula:C19H13N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2-cyanophenoxy)acetamide |
| MolecularFormula | C19H13N4O2Cl |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c1cc2ccccc2nc1Cl)=O |
| InChI | InChI=1S/C19H13ClN4O2/c20-19-15(9-13-5-1-3-7-16(13)23-19)11-22-24-18(25)12-26-17-8-4-2-6-14(17)10-21/h1-9,11H,12H2,(H,24,25) |
| InChIK | SKXJDLZSPFUZOP-UHFFFAOYSA-N |
| TotalMolweight | 364.791 |
| Molweight | 364.791 |
| MonoisotopicMass | 364.072703 |
| CLogP | 3.6315 |
| CLogS | -5.479 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.24 |
| Relative PSA | 0.25082 |
| 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 | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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