1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid

C12H12N2O3 — CID 4962182

IUPAC1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
SMILESCCn1c(=O)c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H12N2O3/c1-3-14-10-5-4-8(12(16)17)6-9(10)13-7(2)11(14)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyXDMONCLSHJEVSR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.42
Rot. Bonds2

About 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid (PubChem CID 4962182) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
PubChem CID4962182
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
SMILESCCn1c(=O)c(C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C12H12N2O3/c1-3-14-10-5-4-8(12(16)17)6-9(10)13-7(2)11(14)15/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyXDMONCLSHJEVSR-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990724
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
N-benzhydryl-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7580923
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673815
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673807
2-(2-chloroethyl)-1-ethylbenzimidazole-5-carboxylic acid
CID 100586866

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid (CID 4962182) is 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid is CCn1c(=O)c(C)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid?
The InChIKey is XDMONCLSHJEVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-14-10-5-4-8(12(16)17)6-9(10)13-7(2)11(14)15/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid?
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid is sourced from PubChem (CID 4962182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).