2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid

C15H13N3O2S — CID 81344523

IUPAC2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid
SMILESCc1cnc(SCC(=O)O)n1-c1cccc2cccnc12
InChIInChI=1S/C15H13N3O2S/c1-10-8-17-15(21-9-13(19)20)18(10)12-6-2-4-11-5-3-7-16-14(11)12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOYJVNTCPAUZBSN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.91
Rot. Bonds4

About 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid

2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid (PubChem CID 81344523) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid
PubChem CID81344523
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid
SMILESCc1cnc(SCC(=O)O)n1-c1cccc2cccnc12
InChIInChI=1S/C15H13N3O2S/c1-10-8-17-15(21-9-13(19)20)18(10)12-6-2-4-11-5-3-7-16-14(11)12/h2-8H,9H2,1H3,(H,19,20)
InChIKeyOYJVNTCPAUZBSN-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid (CID 81344523) is 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid is Cc1cnc(SCC(=O)O)n1-c1cccc2cccnc12.
What is the InChIKey of 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid?
The InChIKey is OYJVNTCPAUZBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-8-17-15(21-9-13(19)20)18(10)12-6-2-4-11-5-3-7-16-14(11)12/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid?
2-(5-methyl-1-quinolin-8-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-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 81344523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).