6-(2,2-dimethylpropanamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-(2,2-dimethylpropanamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-(2,2-dimethylpropanamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0421 |
| Compound Name: | 6-(2,2-dimethylpropanamido)-2-(4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}piperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 580.94 |
| Molecular Formula: | C24 H33 N5 O5 |
| Salt: | 3HCl |
| Smiles: | CC(C)(C)C(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)CC(NCCOC)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.83 |
| logD: | -0.1141 |
| logSw: | -3.1641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.723 |
| InChI Key: | YMGSLQUQSLTRGL-UHFFFAOYSA-N |