6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2081 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 551.71 |
| Molecular Formula: | C29 H37 N5 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCCN1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0349 |
| logD: | 0.8845 |
| logSw: | -3.0867 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.646 |
| InChI Key: | FIGNUVNCTXRQLW-UHFFFAOYSA-N |