3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid

C9H8N2O3 — CID 2049053

IUPAC3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESO=C1CNc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChIKeyKNJZSRZUSLBDSJ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds1

About 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid

3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid (PubChem CID 2049053) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
PubChem CID2049053
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESO=C1CNc2ccc(C(=O)O)cc2N1
InChIInChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14)
InChIKeyKNJZSRZUSLBDSJ-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid (CID 2049053) is 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid is O=C1CNc2ccc(C(=O)O)cc2N1.
What is the InChIKey of 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The InChIKey is KNJZSRZUSLBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8-4-10-6-2-1-5(9(13)14)3-7(6)11-8/h1-3,10H,4H2,(H,11,12)(H,13,14).
What are the key properties of 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 2049053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).