2-methylsulfanylquinoline-4-carboxylic acid

C11H9NO2S — CID 15179620

IUPAC2-methylsulfanylquinoline-4-carboxylic acid
SMILESCSc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H9NO2S/c1-15-10-6-8(11(13)14)7-4-2-3-5-9(7)12-10/h2-6H,1H3,(H,13,14)
InChIKeyLPWUUERUUUIWDU-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.65
Rot. Bonds2

About 2-methylsulfanylquinoline-4-carboxylic acid

2-methylsulfanylquinoline-4-carboxylic acid (PubChem CID 15179620) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-methylsulfanylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-methylsulfanylquinoline-4-carboxylic acid
PubChem CID15179620
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-methylsulfanylquinoline-4-carboxylic acid
SMILESCSc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H9NO2S/c1-15-10-6-8(11(13)14)7-4-2-3-5-9(7)12-10/h2-6H,1H3,(H,13,14)
InChIKeyLPWUUERUUUIWDU-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylquinoline-4-carboxylic acid?
The IUPAC name of 2-methylsulfanylquinoline-4-carboxylic acid (CID 15179620) is 2-methylsulfanylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-methylsulfanylquinoline-4-carboxylic acid?
The canonical SMILES for 2-methylsulfanylquinoline-4-carboxylic acid is CSc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-methylsulfanylquinoline-4-carboxylic acid?
The InChIKey is LPWUUERUUUIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-15-10-6-8(11(13)14)7-4-2-3-5-9(7)12-10/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methylsulfanylquinoline-4-carboxylic acid?
2-methylsulfanylquinoline-4-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylquinoline-4-carboxylic acid is sourced from PubChem (CID 15179620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).