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

C22H30N4S — CID 10237391

IUPAC1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCSC1CCCCC1
InChIInChI=1S/C22H30N4S/c1-2-19-25-20-21(17-12-6-7-13-18(17)24-22(20)23)26(19)14-8-9-15-27-16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H2,23,24)
InChIKeyDLHBGVVCZWLGFR-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.58
Rot. Bonds7

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

1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine (PubChem CID 10237391) has the molecular formula C22H30N4S and a molecular weight of 382.58 g/mol. Its IUPAC name is 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
PubChem CID10237391
Molecular FormulaC22H30N4S
Molecular Weight382.58 g/mol
Exact Mass382.22
IUPAC Name1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
SMILESCCc1nc2c(N)nc3ccccc3c2n1CCCCSC1CCCCC1
InChIInChI=1S/C22H30N4S/c1-2-19-25-20-21(17-12-6-7-13-18(17)24-22(20)23)26(19)14-8-9-15-27-16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H2,23,24)
InChIKeyDLHBGVVCZWLGFR-UHFFFAOYSA-N
XLogP5.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.58
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

1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
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-ethyl-1-[4-[methyl(thietan-3-yl)amino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 138461549
1-[4-(ethenylamino)butyl]-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 154682639
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
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
2-ethyl-1-[5-(4-methoxyphenyl)pent-4-ynyl]imidazo[4,5-c]quinolin-4-amine;hydroiodide
CID 69080447
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine (CID 10237391) is 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine is CCc1nc2c(N)nc3ccccc3c2n1CCCCSC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
The InChIKey is DLHBGVVCZWLGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4S/c1-2-19-25-20-21(17-12-6-7-13-18(17)24-22(20)23)26(19)14-8-9-15-27-16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H2,23,24).
What are the key properties of 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine?
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine has a molecular weight of 382.58 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 10237391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).