4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-ethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-ethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-ethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0980 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-6-ethoxyquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 383.83 |
| Molecular Formula: | C20 H17 N3 O3 |
| Salt: | HCl |
| Smiles: | CCOc1ccc2c(c1)c(c(C#N)cn2)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.292 |
| logD: | 3.2814 |
| logSw: | -3.4352 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.225 |
| InChI Key: | SEXXLLILULWTLZ-UHFFFAOYSA-N |