(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid

C11H10N2O3 — CID 119057458

IUPAC(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid
SMILESCC[C@H]1N=c2ccc(C(=O)O)cc2=NC1=O
InChIInChI=1S/C11H10N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7H,2H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyUVSQDILWNQNEPK-SSDOTTSWSA-N
MW218.21 g/mol
LogP-0.06
Rot. Bonds2

About (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid

(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid (PubChem CID 119057458) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid
PubChem CID119057458
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid
SMILESCC[C@H]1N=c2ccc(C(=O)O)cc2=NC1=O
InChIInChI=1S/C11H10N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7H,2H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyUVSQDILWNQNEPK-SSDOTTSWSA-N
XLogP-0.06
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid?
The IUPAC name of (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid (CID 119057458) is (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid?
The canonical SMILES for (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid is CC[C@H]1N=c2ccc(C(=O)O)cc2=NC1=O.
What is the InChIKey of (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid?
The InChIKey is UVSQDILWNQNEPK-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7H,2H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid?
(2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-3-oxo-2H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 119057458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).