8-methylsulfanylquinoline-5-carboxylic acid

C11H9NO2S — CID 14874958

IUPAC8-methylsulfanylquinoline-5-carboxylic acid
SMILESCSc1ccc(C(=O)O)c2cccnc12
InChIInChI=1S/C11H9NO2S/c1-15-9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyUCWIQLUKHDTNIA-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.65
Rot. Bonds2

About 8-methylsulfanylquinoline-5-carboxylic acid

8-methylsulfanylquinoline-5-carboxylic acid (PubChem CID 14874958) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 8-methylsulfanylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name8-methylsulfanylquinoline-5-carboxylic acid
PubChem CID14874958
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name8-methylsulfanylquinoline-5-carboxylic acid
SMILESCSc1ccc(C(=O)O)c2cccnc12
InChIInChI=1S/C11H9NO2S/c1-15-9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyUCWIQLUKHDTNIA-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 8-methylsulfanylquinoline-5-carboxylic acid?
The IUPAC name of 8-methylsulfanylquinoline-5-carboxylic acid (CID 14874958) is 8-methylsulfanylquinoline-5-carboxylic acid.
What is the SMILES notation for 8-methylsulfanylquinoline-5-carboxylic acid?
The canonical SMILES for 8-methylsulfanylquinoline-5-carboxylic acid is CSc1ccc(C(=O)O)c2cccnc12.
What is the InChIKey of 8-methylsulfanylquinoline-5-carboxylic acid?
The InChIKey is UCWIQLUKHDTNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-15-9-5-4-8(11(13)14)7-3-2-6-12-10(7)9/h2-6H,1H3,(H,13,14).
What are the key properties of 8-methylsulfanylquinoline-5-carboxylic acid?
8-methylsulfanylquinoline-5-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 8-methylsulfanylquinoline-5-carboxylic acid is sourced from PubChem (CID 14874958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).