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[2-difluoromethoxy-8-fluoro-3-(4-fluorobenzyl)-4-methylquinolin-5-yloxy]acetic Acid

HCID 57742512
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Basic information

Standard SMILES
Cc1c(Cc2ccc(F)cc2)c(OC(F)F)nc2c(F)ccc(OCC(=O)O)c12
InChIKey
GJVFVXFJFMJWSM-UHFFFAOYSA-N
Molecular formula
C20H15F4NO4
Average molar mass
409.3 g/mol

Names & identifiers

Preferred name
[2-difluoromethoxy-8-fluoro-3-(4-fluorobenzyl)-4-methylquinolin-5-yloxy]acetic Acid
IUPAC
2-[2-(difluoromethoxy)-8-fluoro-3-[(4-fluorophenyl)methyl]-4-methylquinolin-5-yl]oxyacetic acid

Names & synonyms

[2-difluoromethoxy-8-fluoro-3-(4-fluorobenzyl)-4-methylquinolin-5-yloxy]acetic AcidSCHEMBL3780664

Database identifiers

PubChem CID
57742512

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
68.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
547

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Related reactions

2 records
New reaction record
HRID 2266557 reaction equation
HRID 2266557As productuspto-grants-2010_12
HRID 2324890 reaction equation
HRID 2324890As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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