2,3-diethylquinoxaline

C12H14N2 — CID 2804829

IUPAC2,3-diethylquinoxaline
SMILESCCc1nc2ccccc2nc1CC
InChIInChI=1S/C12H14N2/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9/h5-8H,3-4H2,1-2H3
InChIKeyHPPAQDIWWPYTAM-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.75
Rot. Bonds2

About 2,3-diethylquinoxaline

2,3-diethylquinoxaline (PubChem CID 2804829) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,3-diethylquinoxaline.

Molecular Properties

Compound Name2,3-diethylquinoxaline
PubChem CID2804829
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,3-diethylquinoxaline
SMILESCCc1nc2ccccc2nc1CC
InChIInChI=1S/C12H14N2/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9/h5-8H,3-4H2,1-2H3
InChIKeyHPPAQDIWWPYTAM-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethylquinoxaline?
The IUPAC name of 2,3-diethylquinoxaline (CID 2804829) is 2,3-diethylquinoxaline.
What is the SMILES notation for 2,3-diethylquinoxaline?
The canonical SMILES for 2,3-diethylquinoxaline is CCc1nc2ccccc2nc1CC.
What is the InChIKey of 2,3-diethylquinoxaline?
The InChIKey is HPPAQDIWWPYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-10(4-2)14-12-8-6-5-7-11(12)13-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,3-diethylquinoxaline?
2,3-diethylquinoxaline has a molecular weight of 186.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylquinoxaline is sourced from PubChem (CID 2804829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).