1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C17H21FN4O2S — CID 148598404

IUPAC1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H21FN4O2S/c1-4-25(24)8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyNCALCBAXZNYQON-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 148598404) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID148598404
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCCS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C17H21FN4O2S/c1-4-25(24)8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyNCALCBAXZNYQON-UHFFFAOYSA-N
XLogP2.35
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 161180886
CID 159055337
CID 159055337
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
tert-butyl N-[[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 176656377
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
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
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
1-[4-amino-2-(methoxymethyl)-7-(4-methylsulfonylbutyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 146731928
1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 58970701
1-(4-amino-7-bromo-2-pentan-2-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 175941278
1-[2-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]-3-propan-2-ylurea
CID 58833647

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 148598404) is 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is NCALCBAXZNYQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-4-25(24)8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20).
What are the key properties of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 364.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 148598404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).