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8-benzyloxy-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline

HCID 67050996
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)Cn1cnc2cnc3ccc(OCc4ccccc4)cc3c21
InChIKey
TZFSWHUVHTYFJD-UHFFFAOYSA-N
Molecular formula
C21H21N3O
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
8-benzyloxy-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline
IUPAC
1-(2-methylpropyl)-8-phenylmethoxyimidazo[4,5-c]quinoline

Names & synonyms

SCHEMBL1486556TZFSWHUVHTYFJD-UHFFFAOYSA-N8-benzyloxy-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline

Database identifiers

PubChem CID
67050996

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
39.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
423

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Related reactions

3 records
New reaction record
HRID 598312 reaction equation
HRID 598312As reactantuspto-grants-2011_03
HRID 2137921 reaction equation
HRID 2137921As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2383138 reaction equation
HRID 2383138As reactantuspto-grants-2012_09

Compound notes

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