4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0707 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-7-methoxyquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 369.81 |
| Molecular Formula: | C19 H15 N3 O3 |
| Salt: | HCl |
| Smiles: | COc1ccc2c(c(C#N)cnc2c1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.9223 |
| logD: | 2.9218 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.645 |
| InChI Key: | KTFNJLVCPXLNSV-UHFFFAOYSA-N |