2-(6,7-Dimethoxy-quinolin-4-ylsulfanyl)-5-fluoro-benzoic acid

HCID 23078377
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Basic information

Standard SMILES
COc1cc2nccc(Sc3ccc(F)cc3C(=O)O)c2cc1OC
InChIKey
HJFPKSLKRWKGFX-UHFFFAOYSA-N
Molecular formula
C18H14FNO4S
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
2-(6,7-Dimethoxy-quinolin-4-ylsulfanyl)-5-fluoro-benzoic acid
IUPAC
2-(6,7-dimethoxyquinolin-4-yl)sulfanyl-5-fluorobenzoic acid

Names & synonyms

SCHEMBL3893862HJFPKSLKRWKGFX-UHFFFAOYSA-N2-(6,7-dimethoxy-quinolin-4-ylsulfanyl)-5-fluoro-benzoic acid

Database identifiers

PubChem CID
23078377

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
94 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records
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Compound notes

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