2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine

C22H32N4S — CID 10287302

IUPAC2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCSC(C)(C)C
InChIInChI=1S/C22H32N4S/c1-5-6-13-18-25-19-20(16-11-7-8-12-17(16)24-21(19)23)26(18)14-9-10-15-27-22(2,3)4/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,23,24)
InChIKeyWJZZAWGYEFFFES-UHFFFAOYSA-N
MW384.59 g/mol
LogP5.82
Rot. Bonds8

About 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 10287302) has the molecular formula C22H32N4S and a molecular weight of 384.59 g/mol. Its IUPAC name is 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID10287302
Molecular FormulaC22H32N4S
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCSC(C)(C)C
InChIInChI=1S/C22H32N4S/c1-5-6-13-18-25-19-20(16-11-7-8-12-17(16)24-21(19)23)26(18)14-9-10-15-27-22(2,3)4/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,23,24)
InChIKeyWJZZAWGYEFFFES-UHFFFAOYSA-N
XLogP5.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.59
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
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
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-[4-[(2,3,4,5,6-pentamethylphenyl)sulfanylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033105
2-butyl-1-[4-[(4-ethylphenyl)methyl-methylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 167298983
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-tert-butylpyrrolidine-2,5-dione
CID 137414048

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine (CID 10287302) is 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCSC(C)(C)C.
What is the InChIKey of 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is WJZZAWGYEFFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4S/c1-5-6-13-18-25-19-20(16-11-7-8-12-17(16)24-21(19)23)26(18)14-9-10-15-27-22(2,3)4/h7-8,11-12H,5-6,9-10,13-15H2,1-4H3,(H2,23,24).
What are the key properties of 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 384.59 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10287302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).