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Methyl 4-(2-quinolinylmethoxy)benzoate

HCID 19934817
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIKey
CJIMBEIWORBBOQ-UHFFFAOYSA-N
Molecular formula
C18H15NO3
Average molar mass
293.3 g/mol

Names & identifiers

Preferred name
Methyl 4-(2-quinolinylmethoxy)benzoate
IUPAC
methyl 4-(quinolin-2-ylmethoxy)benzoate

Names & synonyms

137426-86-9Methyl 4-(2-quinolinylmethoxy)benzoateMETHYL 4-(QUINOLIN-2-YLMETHOXY)BENZOATE4-(2-QuinolinylMethoxy)benzoic acid Methyl ester4-(Quinolin-2-ylmethoxy)benzoic acid methyl esterMethyl 4-(2-quinolinylmethoxy)benzoate; Methyl p-(2-quinolylmethoxy)benzoatestarbld0014355SCHEMBL3271439CHEMBL5205902CJIMBEIWORBBOQ-UHFFFAOYSA-NAKOS000278754methyl-4-(quinolin-2-ylmethoxy)benzoate
Show more names
methyl-4-(quinolin-2-ylmethyloxy)benzoateDB-1093324-(Quinolin-2-ylmethoxy)-benzoic acid methyl ester

Database identifiers

PubChem CID
19934817
ChEMBL
CHEMBL5205902

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
365

Related reactions

22 records
New reaction record
HRID 33819 reaction equation
HRID 33819As productuspto-grants-2008_09
HRID 33820 reaction equation
HRID 33820As reactantuspto-grants-2008_09
HRID 33844 reaction equation
HRID 33844As reactantuspto-grants-2008_09
HRID 33877 reaction equation
HRID 33877As reactantuspto-grants-2008_09
HRID 33895 reaction equation
HRID 33895As reactantuspto-grants-2008_09
HRID 165135 reaction equation
HRID 165135As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 655891 reaction equation
HRID 655891As productuspto-grants-2011_12
HRID 819742 reaction equation
HRID 819742As reactantTest data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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