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

HCID 59619682
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)cnn1C
InChIKey
FWTLLDPVZNUMEE-UHFFFAOYSA-N
Molecular formula
C16H14BrN5O
Average molar mass
372.22 g/mol
Monoisotopic mass
371.03817

Names & identifiers

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

Names & synonyms

SCHEMBL2066710FWTLLDPVZNUMEE-UHFFFAOYSA-N8-bromo-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

Database identifiers

PubChem CID
59619682

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
54.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Formal charge
0
Complexity
491

Related reactions

2 records
New reaction record
HRID 445544 reaction equation
HRID 445544As reactantuspto-grants-2013_07
HRID 682145 reaction equation
HRID 682145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes