5,6-diethyl-1H-imidazo[4,5-b]quinoxaline

C13H14N4 — CID 67851996

IUPAC5,6-diethyl-1H-imidazo[4,5-b]quinoxaline
SMILESCCc1ccc2nc3[nH]cnc3nc2c1CC
InChIInChI=1S/C13H14N4/c1-3-8-5-6-10-11(9(8)4-2)17-13-12(16-10)14-7-15-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyQLGGBIJCBJGIQN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds2

About 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline

5,6-diethyl-1H-imidazo[4,5-b]quinoxaline (PubChem CID 67851996) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name5,6-diethyl-1H-imidazo[4,5-b]quinoxaline
PubChem CID67851996
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5,6-diethyl-1H-imidazo[4,5-b]quinoxaline
SMILESCCc1ccc2nc3[nH]cnc3nc2c1CC
InChIInChI=1S/C13H14N4/c1-3-8-5-6-10-11(9(8)4-2)17-13-12(16-10)14-7-15-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyQLGGBIJCBJGIQN-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline (CID 67851996) is 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline is CCc1ccc2nc3[nH]cnc3nc2c1CC.
What is the InChIKey of 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline?
The InChIKey is QLGGBIJCBJGIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-3-8-5-6-10-11(9(8)4-2)17-13-12(16-10)14-7-15-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline?
5,6-diethyl-1H-imidazo[4,5-b]quinoxaline has a molecular weight of 226.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 67851996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).