1-Bromo-6-fluoro-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

HCID 57732464

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc(F)c2nc(C)c3c(C)nc(Br)n3c2c1
InChIKey: UPCFULMKFBROJQ-UHFFFAOYSA-N
Molecular formula: C13H11BrFN3O
Average molar mass: 324.15 g/mol

Names & identifiers

Preferred name: 1-Bromo-6-fluoro-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
IUPAC: 1-bromo-6-fluoro-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

Names & synonyms

SCHEMBL970411UPCFULMKFBROJQ-UHFFFAOYSA-N1-Bromo-6-fluoro-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline

Database identifiers

PubChem CID: 57732464

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 348

Related reactions

8 records

New reaction record

HRID 254307As reactantuspto-grants-2011_01

HRID 254308As reactantuspto-grants-2011_01

HRID 254309As reactantuspto-grants-2011_01

HRID 254310As reactantuspto-grants-2011_01

HRID 291030As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 799330As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 829972As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 834557As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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