3-ethyl-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one

HCID 77623601

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCC1Nc2ccc(F)cc2NC1=O
InChIKey: CDVZSGBUJGMLPY-UHFFFAOYSA-N
Molecular formula: C10H11FN2O
Average molar mass: 194.21 g/mol

Names & identifiers

Preferred name: 3-ethyl-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one
IUPAC: 3-ethyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one

Names & synonyms

3-ethyl-7-fluoro-3,4-dihydroquinoxalin-2(1H)-one878289-65-7SCHEMBL15302834CDVZSGBUJGMLPY-UHFFFAOYSA-NAKOS017844147

Database identifiers

PubChem CID: 77623601

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 234

Related reactions

9 records

New reaction record

HRID 75382As productuspto-grants-2014_09

HRID 75383As reactantuspto-grants-2014_09

HRID 91188As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 208502As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 821289As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1019818As productuspto-grants-2014_05

HRID 1019819As reactantuspto-grants-2014_05

HRID 1129478As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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