2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-pentanamidoquinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-pentanamidoquinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-pentanamidoquinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0204 |
| Compound Name: | 2-[4-(ethoxycarbonyl)piperazin-1-yl]-6-pentanamidoquinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 537.87 |
| Molecular Formula: | C22 H28 N4 O5 |
| Salt: | 3HCl |
| Smiles: | CCCCC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)C(=O)OCC)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1753 |
| logD: | 1.2312 |
| logSw: | -3.9576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.823 |
| InChI Key: | KMTGHCICDKSKDY-UHFFFAOYSA-N |