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[8-chloro-3-(4-chlorobenzyl)-2,4-dimethylquinolin-5-yloxy]acetic Acid

HCID 57742525
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1nc2c(Cl)ccc(OCC(=O)O)c2c(C)c1Cc1ccc(Cl)cc1
InChIKey
POXCCWZRIJAOGY-UHFFFAOYSA-N
Molecular formula
C20H17Cl2NO3
Average molar mass
390.3 g/mol

Names & identifiers

Preferred name
[8-chloro-3-(4-chlorobenzyl)-2,4-dimethylquinolin-5-yloxy]acetic Acid
IUPAC
2-[8-chloro-3-[(4-chlorophenyl)methyl]-2,4-dimethylquinolin-5-yl]oxyacetic acid

Names & synonyms

SCHEMBL3779168POXCCWZRIJAOGY-UHFFFAOYSA-N[8-chloro-3-(4-chlorobenzyl)-2,4-dimethylquinolin-5-yloxy]acetic Acid

Database identifiers

PubChem CID
57742525

Properties

Computed structural propertiesFilling in

XLogP
5.7
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
484

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Related reactions

5 records
New reaction record
HRID 816542 reaction equation
HRID 816542As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2126459 reaction equation
HRID 2126459As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2266422 reaction equation
HRID 2266422As productuspto-grants-2010_12
HRID 2266454 reaction equation
HRID 2266454As reactantuspto-grants-2010_12
HRID 2266455 reaction equation
HRID 2266455As reactantuspto-grants-2010_12

Compound notes

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