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8-Bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-ethyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

HCID 59620072
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1c(=O)n(-c2cn(C)nc2C)c2c3cc(Br)ccc3ncc21
InChIKey
WLIYJIPGADRZJA-UHFFFAOYSA-N
Molecular formula
C17H16BrN5O
Average molar mass
386.2 g/mol

Names & identifiers

Preferred name
8-Bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-ethyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
IUPAC
8-bromo-1-(1,3-dimethylpyrazol-4-yl)-3-ethylimidazo[4,5-c]quinolin-2-one

Names & synonyms

SCHEMBL3515425WLIYJIPGADRZJA-UHFFFAOYSA-N8-Bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-ethyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

Database identifiers

PubChem CID
59620072

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
54.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Formal charge
0
Complexity
505

Related reactions

3 records
New reaction record
HRID 445780 reaction equation
HRID 445780As reactantuspto-grants-2013_07
HRID 445781 reaction equation
HRID 445781As productuspto-grants-2013_07
HRID 2132720 reaction equation
HRID 2132720As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes