4-pentyl-1H-quinoxaline-2,3-dione

C13H16N2O2 — CID 169224633

IUPAC4-pentyl-1H-quinoxaline-2,3-dione
SMILESCCCCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-3-6-9-15-11-8-5-4-7-10(11)14-12(16)13(15)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,16)
InChIKeyGMSOGEYDRXIYPF-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.88
Rot. Bonds4

About 4-pentyl-1H-quinoxaline-2,3-dione

4-pentyl-1H-quinoxaline-2,3-dione (PubChem CID 169224633) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-pentyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-pentyl-1H-quinoxaline-2,3-dione
PubChem CID169224633
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-pentyl-1H-quinoxaline-2,3-dione
SMILESCCCCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C13H16N2O2/c1-2-3-6-9-15-11-8-5-4-7-10(11)14-12(16)13(15)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,16)
InChIKeyGMSOGEYDRXIYPF-UHFFFAOYSA-N
XLogP1.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-pentyl-1H-quinoxaline-2,3-dione (CID 169224633) is 4-pentyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-pentyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-pentyl-1H-quinoxaline-2,3-dione is CCCCCn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-pentyl-1H-quinoxaline-2,3-dione?
The InChIKey is GMSOGEYDRXIYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-6-9-15-11-8-5-4-7-10(11)14-12(16)13(15)17/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,16).
What are the key properties of 4-pentyl-1H-quinoxaline-2,3-dione?
4-pentyl-1H-quinoxaline-2,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 169224633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).