4-[(2H-1,3-benzodioxol-5-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
4-[(2H-1,3-benzodioxol-5-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0050 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]quinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 325.75 |
| Molecular Formula: | C17 H11 N3 O2 |
| Salt: | HCl |
| Smiles: | C1Oc2ccc(cc2O1)Nc1c(C#N)cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.1847 |
| logD: | 3.1847 |
| logSw: | -3.2371 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.779 |
| InChI Key: | ZSQIXRYOOGWLAW-UHFFFAOYSA-N |