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3,6-Dimethoxy-2-(2,4-dimethoxybenzylamino)quinoxaline

HCID 69242572
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COc1ccc(CNc2nc3ccc(OC)cc3nc2OC)c(OC)c1
InChIKey
AXKXNLFTIRKUFF-UHFFFAOYSA-N
Molecular formula
C19H21N3O4
Average molar mass
355.4 g/mol
Monoisotopic mass
355.15320616

Names & identifiers

Preferred name
3,6-Dimethoxy-2-(2,4-dimethoxybenzylamino)quinoxaline
IUPAC
N-[(2,4-dimethoxyphenyl)methyl]-3,6-dimethoxyquinoxalin-2-amine

Names & synonyms

SCHEMBL4923082AXKXNLFTIRKUFF-UHFFFAOYSA-N3,6-Dimethoxy-2-(2,4-dimethoxybenzylamino)quinoxaline

Database identifiers

PubChem CID
69242572

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
26
Formal charge
0
Complexity
428

Related reactions

6 records
New reaction record
HRID 156264 reaction equation
HRID 156264As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1545077 reaction equation
HRID 1545077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1878252 reaction equation
HRID 1878252As productuspto-grants-2012_11
HRID 1878253 reaction equation
HRID 1878253As reactantuspto-grants-2012_11
HRID 1907598 reaction equation
HRID 1907598As productuspto-grants-2013_12
HRID 1907599 reaction equation
HRID 1907599As reactantuspto-grants-2013_12

Compound notes

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