7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid

C18H15NO2S — CID 118950405

IUPAC7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid
SMILESCSc1ccc(-c2c(C)c(C(=O)O)cc3cccnc23)cc1
InChIInChI=1S/C18H15NO2S/c1-11-15(18(20)21)10-13-4-3-9-19-17(13)16(11)12-5-7-14(22-2)8-6-12/h3-10H,1-2H3,(H,20,21)
InChIKeyXINPPMCVYKNCSQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.63
Rot. Bonds3

About 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid

7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid (PubChem CID 118950405) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid
PubChem CID118950405
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid
SMILESCSc1ccc(-c2c(C)c(C(=O)O)cc3cccnc23)cc1
InChIInChI=1S/C18H15NO2S/c1-11-15(18(20)21)10-13-4-3-9-19-17(13)16(11)12-5-7-14(22-2)8-6-12/h3-10H,1-2H3,(H,20,21)
InChIKeyXINPPMCVYKNCSQ-UHFFFAOYSA-N
XLogP4.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
CID 150999301
7-methyl-8-(4-methylsulfonylphenyl)-N-(5-methyltetrazol-5-yl)quinoline-6-carboxamide
CID 118950058
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
2-methyl-4-(4-methylsulfanylphenyl)pyrimidine-5-carboxylic acid
CID 82484578
benzo[h]quinoline-6,7-dicarboxylic acid
CID 67796843
5,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid
CID 3906811
8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
CID 125425154
6-methylsulfanylquinolin-8-amine
CID 57487958
2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63652866
2-(4-methylphenyl)-1,8-naphthyridine-4-carboxylic acid
CID 70910197
palladium;quinoline-8-carboxylic acid
CID 174945118
2-fluoro-4-(4-methylsulfanylphenyl)benzoic acid
CID 53226428

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid?
The IUPAC name of 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid (CID 118950405) is 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid?
The canonical SMILES for 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid is CSc1ccc(-c2c(C)c(C(=O)O)cc3cccnc23)cc1.
What is the InChIKey of 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid?
The InChIKey is XINPPMCVYKNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-11-15(18(20)21)10-13-4-3-9-19-17(13)16(11)12-5-7-14(22-2)8-6-12/h3-10H,1-2H3,(H,20,21).
What are the key properties of 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid?
7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(4-methylsulfanylphenyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 118950405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).