2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid
2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F724-0277 |
| Compound Name: | 2-{4-[(2-methoxyphenyl)methyl]piperazin-1-yl}-6-(3-methylbutanamido)quinoline-4-carboxylic acid |
| Molecular Weight: | 585.96 |
| Molecular Formula: | C27 H32 N4 O4 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)Cc1ccccc1OC)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1696 |
| logD: | 2.2255 |
| logSw: | -4.978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.214 |
| InChI Key: | GJGJWISZWSVSNJ-UHFFFAOYSA-N |