3-Quinolinecarboxylic acid, 6-chloro-4-((2-(dipropylamino)-1-methyl-2-oxoethyl)amino)-, ethyl ester, (+-)-
Basic information
- CAS
127446-98-4- Standard SMILES
CCCN(CCC)C(=O)C(C)Nc1c(C(=O)OCC)cnc2ccc(Cl)cc12- InChIKey
BXSAHRFOQMODHQ-UHFFFAOYSA-N- Molecular formula
- C21H28ClN3O3
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1819195
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 6-chloro-4-((2-(dipropylamino)-1-methyl-2-oxoethyl)amino)-, ethyl ester, (+-)-
- IUPAC
- ethyl 6-chloro-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]quinoline-3-carboxylate
Names & synonyms
SR 26058127446-98-43-Quinolinecarboxylic acid, 6-chloro-4-((2-(dipropylamino)-1-methyl-2-oxoethyl)amino)-, ethyl ester, (+-)-RefChem:282565DTXSID10925891Ethyl 6-chloro-4-{[1-(dipropylamino)-1-oxopropan-2-yl]imino}-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
127446-98-4- PubChem CID
- 3080176
- DTXSID
DTXSID10925891
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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