N,N-diethyl-N-{3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]propyl}prop-2-en-1-aminium--bromide (1/1)
Chemical Structure Depiction of
N,N-diethyl-N-{3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]propyl}prop-2-en-1-aminium--bromide (1/1)
N,N-diethyl-N-{3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]propyl}prop-2-en-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | K844-1172 |
| Compound Name: | N,N-diethyl-N-{3-[(4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl)amino]propyl}prop-2-en-1-aminium--bromide (1/1) |
| Molecular Weight: | 442.4 |
| Molecular Formula: | C20 H32 N3 O3 |
| Salt: | Br- |
| Smiles: | CC[N+](CC)(CCCNC(C1=C(C2CCCCC=2NC1=O)O)=O)CC=C |
| Stereo: | ACHIRAL |
| logP: | 1.4804 |
| logD: | -0.7879 |
| logSw: | -1.9327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.899 |
| InChI Key: | GXTGVVQQYMHEFU-UHFFFAOYSA-O |