1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol

C16H20N4O2S — CID 143292286

IUPAC1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C16H20N4O2S/c1-16(22,9-23-2)8-20-12(7-21)19-13-14(20)10-5-3-4-6-11(10)18-15(13)17/h3-6,21-22H,7-9H2,1-2H3,(H2,17,18)
InChIKeyBHNLWZYIIYSGRD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol

1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 143292286) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID143292286
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C16H20N4O2S/c1-16(22,9-23-2)8-20-12(7-21)19-13-14(20)10-5-3-4-6-11(10)18-15(13)17/h3-6,21-22H,7-9H2,1-2H3,(H2,17,18)
InChIKeyBHNLWZYIIYSGRD-UHFFFAOYSA-N
XLogP1.77
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
tert-butyl N-[[4-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate
CID 164926492
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
CID 143284375
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
CID 145026392
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937
O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol (CID 143292286) is 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is BHNLWZYIIYSGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(22,9-23-2)8-20-12(7-21)19-13-14(20)10-5-3-4-6-11(10)18-15(13)17/h3-6,21-22H,7-9H2,1-2H3,(H2,17,18).
What are the key properties of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 332.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 143292286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).