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3-Chloro-4-(quinolin-2-ylmethoxy)-benzoic acid methyl ester

HCID 68575908
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
InChIKey
QYWYFIAYBAVONZ-UHFFFAOYSA-N
Molecular formula
C18H14ClNO3
Average molar mass
327.8 g/mol

Names & identifiers

Preferred name
3-Chloro-4-(quinolin-2-ylmethoxy)-benzoic acid methyl ester
IUPAC
methyl 3-chloro-4-(quinolin-2-ylmethoxy)benzoate

Names & synonyms

SCHEMBL3271030QYWYFIAYBAVONZ-UHFFFAOYSA-NDB-1093313-Chloro-4-(quinolin-2-ylmethoxy)-benzoic acid methyl ester898563-73-0

Database identifiers

PubChem CID
68575908

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
406

Related reactions

6 records
New reaction record
HRID 33877 reaction equation
HRID 33877As productuspto-grants-2008_09
HRID 33878 reaction equation
HRID 33878As reactantuspto-grants-2008_09
HRID 312442 reaction equation
HRID 312442As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 819742 reaction equation
HRID 819742As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1170316 reaction equation
HRID 1170316As productuspto-grants-2010_11
HRID 1170317 reaction equation
HRID 1170317As reactantuspto-grants-2010_11

Compound notes

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