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3-(4-Methoxyphenyl)quinoline

HCID 4134297
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cnc3ccccc3c2)cc1
InChIKey
KQWNIDLXVRGGKF-UHFFFAOYSA-N
Molecular formula
C16H13NO
Average molar mass
235.28 g/mol

Names & identifiers

Preferred name
3-(4-Methoxyphenyl)quinoline
IUPAC
3-(4-methoxyphenyl)quinoline

Names & synonyms

3-(4-methoxyphenyl)quinoline57479-32-0SCHEMBL3012534KQWNIDLXVRGGKF-UHFFFAOYSA-NAKOS004113791

Database identifiers

PubChem CID
4134297
Nikkaji
J852.884E

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
260

Related reactions

4 records
New reaction record
HRID 159375 reaction equation
HRID 159375As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 209562 reaction equation
HRID 209562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1035597 reaction equation
HRID 1035597As productuspto-grants-2013_10
HRID 1035641 reaction equation
HRID 1035641As reactantuspto-grants-2013_10

Compound notes

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