4-Fluoro-3-(6-isopropyl-quinolin-8-yl)-benzoic acid

HCID 21865543
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Basic information

Standard SMILES
CC(C)c1cc(-c2cc(C(=O)O)ccc2F)c2ncccc2c1
InChIKey
OPZBKEGUHKNLSQ-UHFFFAOYSA-N
Molecular formula
C19H16FNO2
Average molar mass
309.3 g/mol
Monoisotopic mass
309.11650692

Names & identifiers

Preferred name
4-Fluoro-3-(6-isopropyl-quinolin-8-yl)-benzoic acid
IUPAC
4-fluoro-3-(6-propan-2-ylquinolin-8-yl)benzoic acid

Names & synonyms

SCHEMBL4037648OPZBKEGUHKNLSQ-UHFFFAOYSA-N4-Fluoro-3-(6-isopropyl-quinolin-8-yl)-benzoic acid

Database identifiers

PubChem CID
21865543

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
50.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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