chempirical

Resiquimod

C17H22N4O2CAS 144875-48-9314.39 g/mol

Open in Covalent MOL file
ONHNNHNHO
AlcoholEther

Properties

Molecular formula
C17H22N4O2
Molar mass
314.39 g/mol
Exact mass
314.1743 Da
logP
2.30Crippen estimate
Polar surface area
86.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
144875-48-9
SMILES
CCOCc1nc2c(=N)[nH]c3ccccc3c2n1CC(C)(C)O
InChIKey
BXNMTOQRYBFHNZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Imidazo[4,5-c]quinoline-1-ethanol, 4-amino-2-(ethoxymethyl)-α,α-dimethyl-
  • 4-Amino-2-(ethoxymethyl)-α,α-dimethyl-1H-imidazo[4,5-c]quinoline-1-ethanol
  • S 28463
  • R 848
  • 1-[4-Amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
  • Resimiquimod
  • 4-Amino-2-(ethoxymethyl)-1-(2-hydroxyisobutyl)imidazo[4,5-c]quinoline
  • 1-[4-Amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Work with Resiquimod

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Imiquimod99011-02-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2′-[[4-[2-(4-Aminophenyl)diazenyl]-3-methylphenyl]imino]bis[ethanol]104226-21-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook