3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol

C19H26N4S — CID 166933556

IUPAC3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CS
InChIInChI=1S/C19H26N4S/c1-4-5-10-15-22-16-17(23(15)11-19(2,3)12-24)13-8-6-7-9-14(13)21-18(16)20/h6-9,24H,4-5,10-12H2,1-3H3,(H2,20,21)
InChIKeyXWQQXKQHKJVSAH-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.47
Rot. Bonds6

About 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol

3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol (PubChem CID 166933556) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol.

Molecular Properties

Compound Name3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
PubChem CID166933556
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CS
InChIInChI=1S/C19H26N4S/c1-4-5-10-15-22-16-17(23(15)11-19(2,3)12-24)13-8-6-7-9-14(13)21-18(16)20/h6-9,24H,4-5,10-12H2,1-3H3,(H2,20,21)
InChIKeyXWQQXKQHKJVSAH-UHFFFAOYSA-N
XLogP4.47
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
CID 169015832
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
CID 170078489
N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
CID 167498100
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol?
The IUPAC name of 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol (CID 166933556) is 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol.
What is the SMILES notation for 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol?
The canonical SMILES for 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)CS.
What is the InChIKey of 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol?
The InChIKey is XWQQXKQHKJVSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-4-5-10-15-22-16-17(23(15)11-19(2,3)12-24)13-8-6-7-9-14(13)21-18(16)20/h6-9,24H,4-5,10-12H2,1-3H3,(H2,20,21).
What are the key properties of 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol?
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol has a molecular weight of 342.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol is sourced from PubChem (CID 166933556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).