(3R)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C19H14N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C19H14N3O3Cl |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C19H14ClN3O3/c20-18-13(9-12-5-1-2-6-14(12)22-18)10-21-23-19(24)17-11-25-15-7-3-4-8-16(15)26-17/h1-10,17H,11H2,(H,23,24)/t17-/m1/s1 |
| InChIK | WPOYQKADVRPHTQ-QGZVFWFLSA-N |
| TotalMolweight | 367.791 |
| Molweight | 367.791 |
| MonoisotopicMass | 367.072369 |
| CLogP | 3.7631 |
| CLogS | -4.948 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 268.53 |
| Relative PSA | 0.24943 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.9603 |
| 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 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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