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1-[4-amino-2-(2-methoxyethyl)-7-(pyridin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

HCID 57545321
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCc1nc2c(N)nc3cc(OCc4cccnc4)ccc3c2n1CC(C)(C)O
InChIKey
JVWIQLLYMXUCPC-UHFFFAOYSA-N
Molecular formula
C23H27N5O3
Average molar mass
421.5 g/mol

Names & identifiers

Preferred name
1-[4-amino-2-(2-methoxyethyl)-7-(pyridin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
IUPAC
1-[4-amino-2-(2-methoxyethyl)-7-(pyridin-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Names & synonyms

SCHEMBL1486612JVWIQLLYMXUCPC-UHFFFAOYSA-N1-[4-amino-2-(2-methoxyethyl)-7-(pyridin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Database identifiers

PubChem CID
57545321

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
31
Formal charge
0
Complexity
579

Related reactions

3 records
New reaction record
HRID 118006 reaction equation
HRID 118006As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 598344 reaction equation
HRID 598344As productuspto-grants-2011_03
HRID 2383172 reaction equation
HRID 2383172As productuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes