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5,6,5'-Trimethyl-3-(quinolin-4-yloxy)-[2,2']-bipyridine

HCID 57756331
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2nc(C)c(C)cc2Oc2ccnc3ccccc23)nc1
InChIKey
VUHSVGGJFBJHPF-UHFFFAOYSA-N
Molecular formula
C22H19N3O
Average molar mass
341.4 g/mol

Names & identifiers

Preferred name
5,6,5'-Trimethyl-3-(quinolin-4-yloxy)-[2,2']-bipyridine
IUPAC
4-[[5,6-dimethyl-2-(5-methyl-2-pyridinyl)-3-pyridinyl]oxy]quinoline

Names & synonyms

SCHEMBL3905940VUHSVGGJFBJHPF-UHFFFAOYSA-N5,6,5'-Trimethyl-3-(quinolin-4-yloxy)-[2,2']-bipyridine

Database identifiers

PubChem CID
57756331

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
47.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Formal charge
0
Complexity
459

Related reactions

2 records
New reaction record
HRID 229055 reaction equation
HRID 229055As productuspto-grants-2009_07
HRID 1551548 reaction equation
HRID 1551548As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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