8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline

C16H17N3O3S — CID 56910045

IUPAC8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
SMILESCOc1cccc2ccc(-c3nccn3CCS(C)(=O)=O)nc12
InChIInChI=1S/C16H17N3O3S/c1-22-14-5-3-4-12-6-7-13(18-15(12)14)16-17-8-9-19(16)10-11-23(2,20)21/h3-9H,10-11H2,1-2H3
InChIKeyPRGHWPRIDYTROY-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.15
Rot. Bonds5

About 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline

8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline (PubChem CID 56910045) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
PubChem CID56910045
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
SMILESCOc1cccc2ccc(-c3nccn3CCS(C)(=O)=O)nc12
InChIInChI=1S/C16H17N3O3S/c1-22-14-5-3-4-12-6-7-13(18-15(12)14)16-17-8-9-19(16)10-11-23(2,20)21/h3-9H,10-11H2,1-2H3
InChIKeyPRGHWPRIDYTROY-UHFFFAOYSA-N
XLogP2.15
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 146046045
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146038802
1-methyl-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]imidazole
CID 56889384
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
2-(3-iodophenyl)-1-(2-methylsulfonylethyl)imidazole
CID 79788339
1-(2-methylsulfonylethyl)-2-(3-methylthiophen-2-yl)imidazole
CID 56912209
[3-[2-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 146043174
2-(2-methoxyphenyl)-8-(2-methylimidazol-1-yl)quinoline
CID 71111443
1-(2-propan-2-ylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 106731651
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline?
The IUPAC name of 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline (CID 56910045) is 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline.
What is the SMILES notation for 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline?
The canonical SMILES for 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline is COc1cccc2ccc(-c3nccn3CCS(C)(=O)=O)nc12.
What is the InChIKey of 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline?
The InChIKey is PRGHWPRIDYTROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-14-5-3-4-12-6-7-13(18-15(12)14)16-17-8-9-19(16)10-11-23(2,20)21/h3-9H,10-11H2,1-2H3.
What are the key properties of 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline?
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline has a molecular weight of 331.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline is sourced from PubChem (CID 56910045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).