1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid

C15H9N3O3S — CID 10425565

IUPAC1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H9N3O3S/c19-14(20)11-6-13-16-17-15(21)18(13)12-5-8(1-2-10(11)12)9-3-4-22-7-9/h1-7H,(H,17,21)(H,19,20)
InChIKeyZRPGFQYRBYAFRZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.60
Rot. Bonds2

About 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid

1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid (PubChem CID 10425565) has the molecular formula C15H9N3O3S and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid
PubChem CID10425565
Molecular FormulaC15H9N3O3S
Molecular Weight311.32 g/mol
Exact Mass311.04
IUPAC Name1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C15H9N3O3S/c19-14(20)11-6-13-16-17-15(21)18(13)12-5-8(1-2-10(11)12)9-3-4-22-7-9/h1-7H,(H,17,21)(H,19,20)
InChIKeyZRPGFQYRBYAFRZ-UHFFFAOYSA-N
XLogP2.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid?
The IUPAC name of 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid (CID 10425565) is 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid.
What is the SMILES notation for 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid?
The canonical SMILES for 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid is O=C(O)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12.
What is the InChIKey of 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid?
The InChIKey is ZRPGFQYRBYAFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3S/c19-14(20)11-6-13-16-17-15(21)18(13)12-5-8(1-2-10(11)12)9-3-4-22-7-9/h1-7H,(H,17,21)(H,19,20).
What are the key properties of 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid?
1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxylic acid is sourced from PubChem (CID 10425565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).