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1-(2-(3-fluoro-4-oxopiperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one

HCID 59398367
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2ncc(=O)n(CCN3CCC(=O)C(F)C3)c2c1
InChIKey
QKXCNDNLRPBFQF-UHFFFAOYSA-N
Molecular formula
C16H18FN3O3
Average molar mass
319.33 g/mol

Names & identifiers

Preferred name
1-(2-(3-fluoro-4-oxopiperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one
IUPAC
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one

Names & synonyms

SCHEMBL2793619QKXCNDNLRPBFQF-UHFFFAOYSA-N1-(2-(3-fluoro-4-oxopiperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one

Database identifiers

PubChem CID
59398367

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
62.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
499

Related reactions

3 records
New reaction record
HRID 40002 reaction equation
HRID 40002As reactantuspto-grants-2013_09
HRID 177338 reaction equation
HRID 177338As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2193382 reaction equation
HRID 2193382As reactantuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes