2-(quinolin-2-ylmethylsulfinyl)acetic acid

C12H11NO3S — CID 60983732

IUPAC2-(quinolin-2-ylmethylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H11NO3S/c14-12(15)8-17(16)7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChIKeySKQAUHMXNRRNHG-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.57
Rot. Bonds4

About 2-(quinolin-2-ylmethylsulfinyl)acetic acid

2-(quinolin-2-ylmethylsulfinyl)acetic acid (PubChem CID 60983732) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(quinolin-2-ylmethylsulfinyl)acetic acid.

Molecular Properties

Compound Name2-(quinolin-2-ylmethylsulfinyl)acetic acid
PubChem CID60983732
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(quinolin-2-ylmethylsulfinyl)acetic acid
SMILESO=C(O)CS(=O)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H11NO3S/c14-12(15)8-17(16)7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChIKeySKQAUHMXNRRNHG-UHFFFAOYSA-N
XLogP1.57
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(quinolin-2-ylmethylsulfinyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-quinolin-2-ylacetic acid;hydrate
CID 141421012
methyl 3-(quinolin-2-ylmethylsulfinyl)butanoate
CID 66115990
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(quinolin-2-ylmethyl)amino]ethyl]amino]acetic acid
CID 134338360
CID 67646015
CID 67646015
1,2-di(quinolin-2-yl)ethanone
CID 24973307
CID 89210421
CID 89210421
4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid
CID 14774161
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
1-(quinolin-2-ylmethoxy)-3-sulfonylurea
CID 19825110

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-2-ylmethylsulfinyl)acetic acid?
The IUPAC name of 2-(quinolin-2-ylmethylsulfinyl)acetic acid (CID 60983732) is 2-(quinolin-2-ylmethylsulfinyl)acetic acid.
What is the SMILES notation for 2-(quinolin-2-ylmethylsulfinyl)acetic acid?
The canonical SMILES for 2-(quinolin-2-ylmethylsulfinyl)acetic acid is O=C(O)CS(=O)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-(quinolin-2-ylmethylsulfinyl)acetic acid?
The InChIKey is SKQAUHMXNRRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c14-12(15)8-17(16)7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15).
What are the key properties of 2-(quinolin-2-ylmethylsulfinyl)acetic acid?
2-(quinolin-2-ylmethylsulfinyl)acetic acid has a molecular weight of 249.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-2-ylmethylsulfinyl)acetic acid is sourced from PubChem (CID 60983732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).