3-{6-[1-Methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}benzoic acid

HCID 21865566

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

Related reactions

6 records

Compound notes

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