2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid

C15H13N3O2S — CID 81344572

IUPAC2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid
SMILESCc1cn(-c2ccc3ncccc3c2)c(SCC(=O)O)n1
InChIInChI=1S/C15H13N3O2S/c1-10-8-18(15(17-10)21-9-14(19)20)12-4-5-13-11(7-12)3-2-6-16-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyNLSATJJBMYDQBG-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid

2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid (PubChem CID 81344572) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid
PubChem CID81344572
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid
SMILESCc1cn(-c2ccc3ncccc3c2)c(SCC(=O)O)n1
InChIInChI=1S/C15H13N3O2S/c1-10-8-18(15(17-10)21-9-14(19)20)12-4-5-13-11(7-12)3-2-6-16-13/h2-8H,9H2,1H3,(H,19,20)
InChIKeyNLSATJJBMYDQBG-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-chlorophenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81335869
2-[1-[3-(dimethylamino)phenyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 115378964
2-[1-(3-iodophenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336856
2-[1-(3-iodo-4-methylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 114257775
2-[1-[4-(dimethylamino)phenyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81337221
2-[1-(3,5-dimethylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81337210
2-[1-[3-(dimethylamino)-4-methylphenyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 115378966
2-[1-(4-ethylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81337042
2-[1-(4-bromo-3,5-dimethylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 107576730
2-(1-isoquinolin-5-yl-4-methylimidazol-2-yl)sulfanylacetic acid
CID 81344641
6-oxo-1-quinolin-6-ylpyridine-3-carboxylic acid
CID 62636849
2-[1-(2,6-dibromo-4-methylphenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81336771

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid (CID 81344572) is 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid is Cc1cn(-c2ccc3ncccc3c2)c(SCC(=O)O)n1.
What is the InChIKey of 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid?
The InChIKey is NLSATJJBMYDQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-8-18(15(17-10)21-9-14(19)20)12-4-5-13-11(7-12)3-2-6-16-13/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid?
2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid has a molecular weight of 299.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-quinolin-6-ylimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 81344572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).