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

Analyze 2-oxo-1H-quinoline-3,7-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-carbamimidoyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988875
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
CID 176988746
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 18847882

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).