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

C11H12N2O3 — CID 43470453

IUPAC2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESCCC1Nc2ccc(C(=O)O)cc2NC1=O
InChIInChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyRSQRDVPENVGBIX-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.53
Rot. Bonds2

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

2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid (PubChem CID 43470453) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
PubChem CID43470453
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESCCC1Nc2ccc(C(=O)O)cc2NC1=O
InChIInChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyRSQRDVPENVGBIX-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid (CID 43470453) is 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid is CCC1Nc2ccc(C(=O)O)cc2NC1=O.
What is the InChIKey of 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The InChIKey is RSQRDVPENVGBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid?
2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 43470453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).