8-methylsulfanylquinoline-3-carboxylic acid

C11H9NO2S — CID 126609848

IUPAC8-methylsulfanylquinoline-3-carboxylic acid
SMILESCSc1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C11H9NO2S/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyWSBVSKVWVVNYJW-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.65
Rot. Bonds2

About 8-methylsulfanylquinoline-3-carboxylic acid

8-methylsulfanylquinoline-3-carboxylic acid (PubChem CID 126609848) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 8-methylsulfanylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methylsulfanylquinoline-3-carboxylic acid
PubChem CID126609848
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name8-methylsulfanylquinoline-3-carboxylic acid
SMILESCSc1cccc2cc(C(=O)O)cnc12
InChIInChI=1S/C11H9NO2S/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-6H,1H3,(H,13,14)
InChIKeyWSBVSKVWVVNYJW-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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Related Compounds

8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
8-(dimethylamino)quinoline-3-carboxylic acid
CID 105469716
3-methyl-8-methylsulfanylquinoline
CID 119092882
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
8-[(2,6-difluorophenyl)methoxy]quinoline-3-carboxylic acid
CID 118870240
6-iodo-7-methylsulfanylquinoline-3-carboxylic acid
CID 129276241
acetic acid;1-methylsulfanylphenazine
CID 175441164
2-[(8-fluoroquinoline-3-carbonyl)amino]propanoic acid
CID 110489629
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302
4-methylsulfanylphenanthridine
CID 56651512
8-(4,4-difluorocyclohexen-1-yl)quinoline-3-carboxylic acid;ethane
CID 169199637

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanylquinoline-3-carboxylic acid?
The IUPAC name of 8-methylsulfanylquinoline-3-carboxylic acid (CID 126609848) is 8-methylsulfanylquinoline-3-carboxylic acid.
What is the SMILES notation for 8-methylsulfanylquinoline-3-carboxylic acid?
The canonical SMILES for 8-methylsulfanylquinoline-3-carboxylic acid is CSc1cccc2cc(C(=O)O)cnc12.
What is the InChIKey of 8-methylsulfanylquinoline-3-carboxylic acid?
The InChIKey is WSBVSKVWVVNYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-15-9-4-2-3-7-5-8(11(13)14)6-12-10(7)9/h2-6H,1H3,(H,13,14).
What are the key properties of 8-methylsulfanylquinoline-3-carboxylic acid?
8-methylsulfanylquinoline-3-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-3-carboxylic acid is sourced from PubChem (CID 126609848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).