1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine

C17H22N4O3S — CID 58917318

IUPAC1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)(Cn1cnc2c(N)nc3ccccc3c21)OCCS(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-17(2,24-8-9-25(3,22)23)10-21-11-19-14-15(21)12-6-4-5-7-13(12)20-16(14)18/h4-7,11H,8-10H2,1-3H3,(H2,18,20)
InChIKeyYCIZLUVXERWPDG-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine

1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 58917318) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID58917318
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)(Cn1cnc2c(N)nc3ccccc3c21)OCCS(C)(=O)=O
InChIInChI=1S/C17H22N4O3S/c1-17(2,24-8-9-25(3,22)23)10-21-11-19-14-15(21)12-6-4-5-7-13(12)20-16(14)18/h4-7,11H,8-10H2,1-3H3,(H2,18,20)
InChIKeyYCIZLUVXERWPDG-UHFFFAOYSA-N
XLogP2.01
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
CID 58917342
1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine
CID 58869100
N-[8-(4-aminoimidazo[4,5-c]quinolin-1-yl)octyl]methanesulfonamide
CID 10362916
potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
N-[1-[(4-aminoimidazo[4,5-c]quinolin-1-yl)methyl]cyclobutyl]methanesulfonamide
CID 140857010
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
CID 69327873
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 20613683
N-[2-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-2-sulfonamide
CID 20613684

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine (CID 58917318) is 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine is CC(C)(Cn1cnc2c(N)nc3ccccc3c21)OCCS(C)(=O)=O.
What is the InChIKey of 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is YCIZLUVXERWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-17(2,24-8-9-25(3,22)23)10-21-11-19-14-15(21)12-6-4-5-7-13(12)20-16(14)18/h4-7,11H,8-10H2,1-3H3,(H2,18,20).
What are the key properties of 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine?
1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58917318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).