5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione

C12H14N2O2 — CID 118870848

IUPAC5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1ccc(CC)c2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H14N2O2/c1-3-7-5-6-8(4-2)10-9(7)13-11(15)12(16)14-10/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPEYKDBZCIPZSH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.34
Rot. Bonds2

About 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione

5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 118870848) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID118870848
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1ccc(CC)c2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C12H14N2O2/c1-3-7-5-6-8(4-2)10-9(7)13-11(15)12(16)14-10/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPEYKDBZCIPZSH-UHFFFAOYSA-N
XLogP1.34
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione (CID 118870848) is 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione is CCc1ccc(CC)c2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CPEYKDBZCIPZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-7-5-6-8(4-2)10-9(7)13-11(15)12(16)14-10/h5-6H,3-4H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione?
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 218.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 118870848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).