4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid

C13H16N2O3 — CID 117006524

IUPAC4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCCCCN1CC(=O)Nc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-2-3-6-15-8-12(16)14-10-5-4-9(13(17)18)7-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyJJFVJZMEJHQQAK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.94
Rot. Bonds4

About 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid

4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 117006524) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
PubChem CID117006524
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCCCCN1CC(=O)Nc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-2-3-6-15-8-12(16)14-10-5-4-9(13(17)18)7-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyJJFVJZMEJHQQAK-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006964
1-(3-methylbutyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117006967
7-bromo-4-pentyl-1,3-dihydroquinoxalin-2-one
CID 117006831
1-(2-aminopropyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 117031176
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
CID 164652934
(2S)-2-ethyl-4-heptyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 59082338
4-(2-hydroxyethyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031335
3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
CID 82790655
4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 104716038
4-(3-aminopropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117031319
4-(3-methoxypropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007038
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid (CID 117006524) is 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid is CCCCN1CC(=O)Nc2ccc(C(=O)O)cc21.
What is the InChIKey of 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is JJFVJZMEJHQQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-3-6-15-8-12(16)14-10-5-4-9(13(17)18)7-11(10)15/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 117006524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).