2-(4-oxocinnolin-1-yl)acetic acid

C10H8N2O3 — CID 7131158

IUPAC2-(4-oxocinnolin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c13-9-5-11-12(6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15)
InChIKeyLIHJDBHWCADCDH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.48
Rot. Bonds2

About 2-(4-oxocinnolin-1-yl)acetic acid

2-(4-oxocinnolin-1-yl)acetic acid (PubChem CID 7131158) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)acetic acid
PubChem CID7131158
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(4-oxocinnolin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C10H8N2O3/c13-9-5-11-12(6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15)
InChIKeyLIHJDBHWCADCDH-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxocinnolin-1-yl)acetate
CID 7131157
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
N-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
3-(4-oxocinnolin-1-yl)propanamide
CID 47123782
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
1-[2-(methylaminomethyl)prop-2-enyl]cinnolin-4-one
CID 103072007
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
N-(1-benzyl-2-pyridinylidene)-2-(4-oxocinnolin-1-yl)acetamide
CID 134012892
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)acetic acid?
The IUPAC name of 2-(4-oxocinnolin-1-yl)acetic acid (CID 7131158) is 2-(4-oxocinnolin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)acetic acid?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)acetic acid is O=C(O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)acetic acid?
The InChIKey is LIHJDBHWCADCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9-5-11-12(6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(4-oxocinnolin-1-yl)acetic acid?
2-(4-oxocinnolin-1-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocinnolin-1-yl)acetic acid is sourced from PubChem (CID 7131158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).