6-(2,2-dimethylpropanamido)-2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-(2,2-dimethylpropanamido)-2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-(2,2-dimethylpropanamido)-2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0432 |
| Compound Name: | 6-(2,2-dimethylpropanamido)-2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 585.96 |
| Molecular Formula: | C27 H32 N4 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)(C)C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)Cc1ccccc1OC)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9624 |
| logD: | 2.0183 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.427 |
| InChI Key: | UVMPMQAIGXQEOU-UHFFFAOYSA-N |