4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid

C12H14N2O4 — CID 112577501

IUPAC4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESCOCCN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C12H14N2O4/c1-18-6-5-14-7-10(15)13-9-4-2-3-8(11(9)14)12(16)17/h2-4H,5-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIKKKKGGWDMMXLS-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.79
Rot. Bonds4

About 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid

4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (PubChem CID 112577501) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
PubChem CID112577501
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESCOCCN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C12H14N2O4/c1-18-6-5-14-7-10(15)13-9-4-2-3-8(11(9)14)12(16)17/h2-4H,5-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyIKKKKGGWDMMXLS-UHFFFAOYSA-N
XLogP0.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088
6-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296050
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-6-carboxylic acid
CID 115933758
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
CID 104720306
4-[(2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 95309206
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
4-acetyl-1-(2-methoxyethyl)-4-phenylimidazolidin-2-one
CID 70531898

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (CID 112577501) is 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is COCCN1CC(=O)Nc2cccc(C(=O)O)c21.
What is the InChIKey of 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is IKKKKGGWDMMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-6-5-14-7-10(15)13-9-4-2-3-8(11(9)14)12(16)17/h2-4H,5-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 112577501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).