2-(4-oxocinnolin-1-yl)acetate

C10H7N2O3- — CID 7131157

IUPAC2-(4-oxocinnolin-1-yl)acetate
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)/p-1
InChIKeyLIHJDBHWCADCDH-UHFFFAOYSA-M
MW203.18 g/mol
LogP-0.85
Rot. Bonds2

About 2-(4-oxocinnolin-1-yl)acetate

2-(4-oxocinnolin-1-yl)acetate (PubChem CID 7131157) has the molecular formula C10H7N2O3- and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)acetate.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)acetate
PubChem CID7131157
Molecular FormulaC10H7N2O3-
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name2-(4-oxocinnolin-1-yl)acetate
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)/p-1
InChIKeyLIHJDBHWCADCDH-UHFFFAOYSA-M
XLogP-0.85
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
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-tert-butylsulfonyl-2-(4-oxocinnolin-1-yl)acetamide
CID 167942229
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
1-(3-amino-2-hydroxypropyl)cinnolin-4-one
CID 43646497
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)acetate?
The IUPAC name of 2-(4-oxocinnolin-1-yl)acetate (CID 7131157) is 2-(4-oxocinnolin-1-yl)acetate.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)acetate?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)acetate is O=C([O-])Cn1ncc(=O)c2ccccc21.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)acetate?
The InChIKey is LIHJDBHWCADCDH-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-(4-oxocinnolin-1-yl)acetate?
2-(4-oxocinnolin-1-yl)acetate has a molecular weight of 203.18 g/mol, XLogP of -0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocinnolin-1-yl)acetate is sourced from PubChem (CID 7131157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).