1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine

C20H28N4S — CID 10309036

IUPAC1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCSCCCCn1c(CC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H28N4S/c1-3-5-13-25-14-9-8-12-24-17(4-2)23-18-19(24)15-10-6-7-11-16(15)22-20(18)21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,21,22)
InChIKeyOEHZFBFYCHNCLU-UHFFFAOYSA-N
MW356.54 g/mol
LogP5.04
Rot. Bonds9

About 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine

1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine (PubChem CID 10309036) has the molecular formula C20H28N4S and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
PubChem CID10309036
Molecular FormulaC20H28N4S
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESCCCCSCCCCn1c(CC)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C20H28N4S/c1-3-5-13-25-14-9-8-12-24-17(4-2)23-18-19(24)15-10-6-7-11-16(15)22-20(18)21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,21,22)
InChIKeyOEHZFBFYCHNCLU-UHFFFAOYSA-N
XLogP5.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.54
LogP ≤ 55.04
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-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143008317
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine (CID 10309036) is 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine is CCCCSCCCCn1c(CC)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is OEHZFBFYCHNCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4S/c1-3-5-13-25-14-9-8-12-24-17(4-2)23-18-19(24)15-10-6-7-11-16(15)22-20(18)21/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,21,22).
What are the key properties of 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 356.54 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10309036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).