4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

C15H18N2O4 — CID 82770622

IUPAC4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCCCCC(C)n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H18N2O4/c1-3-4-5-9(2)17-12-8-10(15(20)21)6-7-11(12)16-13(18)14(17)19/h6-9H,3-5H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyOGYVPBAAYFZTHG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.14
Rot. Bonds5

About 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid

4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (PubChem CID 82770622) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
PubChem CID82770622
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
SMILESCCCCC(C)n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H18N2O4/c1-3-4-5-9(2)17-12-8-10(15(20)21)6-7-11(12)16-13(18)14(17)19/h6-9H,3-5H2,1-2H3,(H,16,18)(H,20,21)
InChIKeyOGYVPBAAYFZTHG-UHFFFAOYSA-N
XLogP2.14
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid (CID 82770622) is 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is CCCCC(C)n1c(=O)c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
The InChIKey is OGYVPBAAYFZTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-4-5-9(2)17-12-8-10(15(20)21)6-7-11(12)16-13(18)14(17)19/h6-9H,3-5H2,1-2H3,(H,16,18)(H,20,21).
What are the key properties of 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid?
4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 82770622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).