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8-(5-Amino-6-methoxy-pyridin-3-yl)-1-(3-chloro-1-methyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

HCID 59619963
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Basic information

Standard SMILES
COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2Cl)c(=O)n4C)cc1N
InChIKey
XGJOSTVRNOGEFS-UHFFFAOYSA-N
Molecular formula
C21H18ClN7O2
Average molar mass
435.9 g/mol

Names & identifiers

Preferred name
8-(5-Amino-6-methoxy-pyridin-3-yl)-1-(3-chloro-1-methyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
IUPAC
8-(5-amino-6-methoxy-3-pyridinyl)-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

Names & synonyms

SCHEMBL3514200XGJOSTVRNOGEFS-UHFFFAOYSA-N8-(5-Amino-6-methoxy-pyridin-3-yl)-1-(3-chloro-1-methyl-1H-pyrazol-4-yl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one

Database identifiers

PubChem CID
59619963

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
102 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Formal charge
0
Complexity
686

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Related reactions

2 records
New reaction record
HRID 161464 reaction equation
HRID 161464As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 445647 reaction equation
HRID 445647As productuspto-grants-2013_07

Compound notes

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