1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

HCID 57545295

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOCc1nc2c(N)nc3cc(OCc4nccn4C)ccc3c2n1CC(C)(C)O
InChIKey: NFWJQFOBLAVJKX-UHFFFAOYSA-N
Molecular formula: C22H28N6O3
Average molar mass: 424.5 g/mol
Monoisotopic mass: 424.22228878

Names & identifiers

Preferred name: 1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
IUPAC: 1-[4-amino-2-(ethoxymethyl)-7-[(1-methylimidazol-2-yl)methoxy]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Names & synonyms

SCHEMBL1486623NFWJQFOBLAVJKX-UHFFFAOYSA-N1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Database identifiers

PubChem CID: 57545295

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 113 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 596

Related reactions

3 records

New reaction record

HRID 598361As productuspto-grants-2011_03

HRID 2345496As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2383191As productuspto-grants-2012_09

Compound notes

Loading…