Basic information
- Standard SMILES
CC(C)(c1cc(-c2cccc(C(=O)O)c2)c2ncccc2c1)S(C)(=O)=O- InChIKey
BRARCJGZSICHCP-UHFFFAOYSA-N- Molecular formula
- C20H19NO4S
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- 3-{6-[1-Methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}benzoic acid
- IUPAC
- 3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]benzoic acid
Names & synonyms
SCHEMBL4042806BRARCJGZSICHCP-UHFFFAOYSA-N3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}benzoic acid3-[6-(1-Methanesulfonyl-1-methyl-ethyl)-quinolin-8-yl]-benzoic acid
Database identifiers
- PubChem CID
- 21865566
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 624
Related reactions
6 records
Compound notes
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