4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol

C16H20N4OS — CID 22320487

IUPAC4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol
SMILESCSCCCCn1c(C)nc2c(N)nc3ccc(O)cc3c21
InChIInChI=1S/C16H20N4OS/c1-10-18-14-15(20(10)7-3-4-8-22-2)12-9-11(21)5-6-13(12)19-16(14)17/h5-6,9,21H,3-4,7-8H2,1-2H3,(H2,17,19)
InChIKeyPEPRMBAZZBRRPH-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.32
Rot. Bonds5

About 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol

4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol (PubChem CID 22320487) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol.

Molecular Properties

Compound Name4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol
PubChem CID22320487
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol
SMILESCSCCCCn1c(C)nc2c(N)nc3ccc(O)cc3c21
InChIInChI=1S/C16H20N4OS/c1-10-18-14-15(20(10)7-3-4-8-22-2)12-9-11(21)5-6-13(12)19-16(14)17/h5-6,9,21H,3-4,7-8H2,1-2H3,(H2,17,19)
InChIKeyPEPRMBAZZBRRPH-UHFFFAOYSA-N
XLogP3.32
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)butyl]-2-methylpropanamide
CID 23512692
N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
CID 23512673
1-(4-butylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10309036
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
CID 67051125
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
1-[[4-(aminomethyl)phenyl]methyl]-2-methylimidazo[4,5-c]quinoline-4,8-diamine
CID 126540608
2-[2-[2-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]guanidine
CID 126650950
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
1-(4-cyclohexylsulfanylbutyl)-2-ethylimidazo[4,5-c]quinolin-4-amine
CID 10237391
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol?
The IUPAC name of 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol (CID 22320487) is 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol.
What is the SMILES notation for 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol?
The canonical SMILES for 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol is CSCCCCn1c(C)nc2c(N)nc3ccc(O)cc3c21.
What is the InChIKey of 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol?
The InChIKey is PEPRMBAZZBRRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10-18-14-15(20(10)7-3-4-8-22-2)12-9-11(21)5-6-13(12)19-16(14)17/h5-6,9,21H,3-4,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol?
4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol has a molecular weight of 316.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(4-methylsulfanylbutyl)imidazo[4,5-c]quinolin-8-ol is sourced from PubChem (CID 22320487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).