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

C13H16N2O3 — CID 112577478

IUPAC4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESCC(C)CN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C13H16N2O3/c1-8(2)6-15-7-11(16)14-10-5-3-4-9(12(10)15)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKQCGEXLTVWHJSM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds3

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

4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (PubChem CID 112577478) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
PubChem CID112577478
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
SMILESCC(C)CN1CC(=O)Nc2cccc(C(=O)O)c21
InChIInChI=1S/C13H16N2O3/c1-8(2)6-15-7-11(16)14-10-5-3-4-9(12(10)15)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKQCGEXLTVWHJSM-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577501
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088
1-(2-methylpropyl)-2,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964959
2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-6-carboxylic acid
CID 115933758
3-amino-2-(2-ethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115935225
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
3,3,4-trimethyl-2-oxo-1H-quinoxaline-5-carboxylic acid
CID 112577474
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763
3-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 107112140
1-(3-methylbutyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006967
1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117031176

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid (CID 112577478) is 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is CC(C)CN1CC(=O)Nc2cccc(C(=O)O)c21.
What is the InChIKey of 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is KQCGEXLTVWHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)6-15-7-11(16)14-10-5-3-4-9(12(10)15)13(17)18/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid?
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 112577478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).