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3-(3-Fluoro-4-methoxy-benzoyl)-1-(6-methyl-pyridin-2-ylmethyl)-1H-quinolin-4-one

HCID 57754663
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)c2cn(Cc3cccc(C)n3)c3ccccc3c2=O)cc1F
InChIKey
JDSOVNOSGRHSBE-UHFFFAOYSA-N
Molecular formula
C24H19FN2O3
Average molar mass
402.4 g/mol
Monoisotopic mass
402.13797063

Names & identifiers

Preferred name
3-(3-Fluoro-4-methoxy-benzoyl)-1-(6-methyl-pyridin-2-ylmethyl)-1H-quinolin-4-one
IUPAC
3-(3-fluoro-4-methoxybenzoyl)-1-[(6-methyl-2-pyridinyl)methyl]quinolin-4-one

Names & synonyms

SCHEMBL1549464JDSOVNOSGRHSBE-UHFFFAOYSA-N3-(3-Fluoro-4-methoxy-benzoyl)-1-(6-methyl-pyridin-2-ylmethyl)-1H-quinolin-4-one

Database identifiers

PubChem CID
57754663

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
59.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
681

Related reactions

2 records
New reaction record
HRID 101099 reaction equation
HRID 101099As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 227076 reaction equation
HRID 227076As productuspto-grants-2009_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes