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1-(7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

HCID 21984028
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOCc1nc2cnc3cc(Br)ccc3c2n1CC(C)(C)O
InChIKey
QRMQQOMSFINMPB-UHFFFAOYSA-N
Molecular formula
C17H20BrN3O2
Average molar mass
378.3 g/mol

Names & identifiers

Preferred name
1-(7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
IUPAC
1-[7-bromo-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Names & synonyms

SCHEMBL2370036QRMQQOMSFINMPB-UHFFFAOYSA-N1-(7-bromo-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol

Database identifiers

PubChem CID
21984028

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
60.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
409

Related reactions

6 records
New reaction record
HRID 9381 reaction equation
HRID 9381As productuspto-grants-2006_08
HRID 9413 reaction equation
HRID 9413As reactantuspto-grants-2006_08
HRID 909355 reaction equation
HRID 909355As reactantuspto-grants-2011_09
HRID 1540496 reaction equation
HRID 1540496As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1818131 reaction equation
HRID 1818131As productuspto-grants-2009_10
HRID 1818163 reaction equation
HRID 1818163As reactantuspto-grants-2009_10

Compound notes

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