Ethyl N-(6,7-difluoro-2-methoxyquinoxalin-3-yl)carbamate (HCID 69244192)

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Basic information

Standard SMILES: CCOC(=O)Nc1nc2cc(F)c(F)cc2nc1OC
InChIKey: AOEYQGNVLUBEMB-UHFFFAOYSA-N
Molecular formula: C12H11F2N3O3
Average molar mass: 283.23 g/mol

Names & identifiers

Preferred name: Ethyl N-(6,7-difluoro-2-methoxyquinoxalin-3-yl)carbamate
IUPAC: ethyl N-(6,7-difluoro-3-methoxyquinoxalin-2-yl)carbamate

Names & synonyms

SCHEMBL4927876AOEYQGNVLUBEMB-UHFFFAOYSA-NEthyl N-(6,7-di fluoro-2-methoxyquinoxalin-3-yl)carbamateEthyl N-(6,7-difluoro-2-methoxyquinoxalin-3-yl)carbamate

Database identifiers

PubChem CID: 69244192

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 348

Related reactions

21 records

New reaction record

HRID 91534As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 178915As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 806110As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 819426As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 834795As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1225485As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1878275As productuspto-grants-2012_11

Compound notes

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