2-oxo-1H-quinoline-3,7-dicarboxylic acid

C11H7NO5 — CID 6501546

IUPAC2-oxo-1H-quinoline-3,7-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C11H7NO5/c13-9-7(11(16)17)3-5-1-2-6(10(14)15)4-8(5)12-9/h1-4H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyHSTMDMUEMCGEGU-UHFFFAOYSA-N
MW233.18 g/mol
LogP0.92
Rot. Bonds2

About 2-oxo-1H-quinoline-3,7-dicarboxylic acid

2-oxo-1H-quinoline-3,7-dicarboxylic acid (PubChem CID 6501546) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-3,7-dicarboxylic acid.

Molecular Properties

Compound Name2-oxo-1H-quinoline-3,7-dicarboxylic acid
PubChem CID6501546
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name2-oxo-1H-quinoline-3,7-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1
InChIInChI=1S/C11H7NO5/c13-9-7(11(16)17)3-5-1-2-6(10(14)15)4-8(5)12-9/h1-4H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyHSTMDMUEMCGEGU-UHFFFAOYSA-N
XLogP0.92
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-3,7-dicarboxylic acid?
The IUPAC name of 2-oxo-1H-quinoline-3,7-dicarboxylic acid (CID 6501546) is 2-oxo-1H-quinoline-3,7-dicarboxylic acid.
What is the SMILES notation for 2-oxo-1H-quinoline-3,7-dicarboxylic acid?
The canonical SMILES for 2-oxo-1H-quinoline-3,7-dicarboxylic acid is O=C(O)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1.
What is the InChIKey of 2-oxo-1H-quinoline-3,7-dicarboxylic acid?
The InChIKey is HSTMDMUEMCGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-9-7(11(16)17)3-5-1-2-6(10(14)15)4-8(5)12-9/h1-4H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-oxo-1H-quinoline-3,7-dicarboxylic acid?
2-oxo-1H-quinoline-3,7-dicarboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-3,7-dicarboxylic acid is sourced from PubChem (CID 6501546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).