4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylquinoline-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylquinoline-3-carbonitrile--hydrogen chloride (1/1)
4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylquinoline-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F360-0131 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]-6-methylquinoline-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 339.78 |
| Molecular Formula: | C18 H13 N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c1)c(c(C#N)cn2)Nc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.7544 |
| logD: | 3.7542 |
| logSw: | -3.9208 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.779 |
| InChI Key: | QVIPCUPWYXYDHD-UHFFFAOYSA-N |