3-methyl-7-(2-methylsulfonylethenyl)quinoline

C13H13NO2S — CID 170319811

IUPAC3-methyl-7-(2-methylsulfonylethenyl)quinoline
SMILESCc1cnc2cc(C=CS(C)(=O)=O)ccc2c1
InChIInChI=1S/C13H13NO2S/c1-10-7-12-4-3-11(5-6-17(2,15)16)8-13(12)14-9-10/h3-9H,1-2H3
InChIKeyIAPAPQUJGUEHFW-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.56
Rot. Bonds2

About 3-methyl-7-(2-methylsulfonylethenyl)quinoline

3-methyl-7-(2-methylsulfonylethenyl)quinoline (PubChem CID 170319811) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-methyl-7-(2-methylsulfonylethenyl)quinoline.

Molecular Properties

Compound Name3-methyl-7-(2-methylsulfonylethenyl)quinoline
PubChem CID170319811
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name3-methyl-7-(2-methylsulfonylethenyl)quinoline
SMILESCc1cnc2cc(C=CS(C)(=O)=O)ccc2c1
InChIInChI=1S/C13H13NO2S/c1-10-7-12-4-3-11(5-6-17(2,15)16)8-13(12)14-9-10/h3-9H,1-2H3
InChIKeyIAPAPQUJGUEHFW-UHFFFAOYSA-N
XLogP2.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylsulfonylethenyl)quinoline?
The IUPAC name of 3-methyl-7-(2-methylsulfonylethenyl)quinoline (CID 170319811) is 3-methyl-7-(2-methylsulfonylethenyl)quinoline.
What is the SMILES notation for 3-methyl-7-(2-methylsulfonylethenyl)quinoline?
The canonical SMILES for 3-methyl-7-(2-methylsulfonylethenyl)quinoline is Cc1cnc2cc(C=CS(C)(=O)=O)ccc2c1.
What is the InChIKey of 3-methyl-7-(2-methylsulfonylethenyl)quinoline?
The InChIKey is IAPAPQUJGUEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10-7-12-4-3-11(5-6-17(2,15)16)8-13(12)14-9-10/h3-9H,1-2H3.
What are the key properties of 3-methyl-7-(2-methylsulfonylethenyl)quinoline?
3-methyl-7-(2-methylsulfonylethenyl)quinoline has a molecular weight of 247.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylsulfonylethenyl)quinoline is sourced from PubChem (CID 170319811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).