2,5-diethyl-1H-imidazo[4,5-b]quinoxaline

C13H14N4 — CID 67851997

IUPAC2,5-diethyl-1H-imidazo[4,5-b]quinoxaline
SMILESCCc1nc2nc3c(CC)cccc3nc2[nH]1
InChIInChI=1S/C13H14N4/c1-3-8-6-5-7-9-11(8)17-13-12(14-9)15-10(4-2)16-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyIKCZRROJQTVAMT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds2

About 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline

2,5-diethyl-1H-imidazo[4,5-b]quinoxaline (PubChem CID 67851997) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2,5-diethyl-1H-imidazo[4,5-b]quinoxaline
PubChem CID67851997
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2,5-diethyl-1H-imidazo[4,5-b]quinoxaline
SMILESCCc1nc2nc3c(CC)cccc3nc2[nH]1
InChIInChI=1S/C13H14N4/c1-3-8-6-5-7-9-11(8)17-13-12(14-9)15-10(4-2)16-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyIKCZRROJQTVAMT-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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Related Compounds

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2-Amino-3-methyl-9H-pyrido(2,3-b)indole
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Bis(5-amidino-2-benzimidazolyl)methane
CID 2387
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
Chitinase
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4-(1H-1,3-benzodiazol-2-yl)aniline
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2-(pyridin-4-yl)-1H-1,3-benzodiazole
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Luf-5962
CID 11617054
Hemi-Babim
CID 1282

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline (CID 67851997) is 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline is CCc1nc2nc3c(CC)cccc3nc2[nH]1.
What is the InChIKey of 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline?
The InChIKey is IKCZRROJQTVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-3-8-6-5-7-9-11(8)17-13-12(14-9)15-10(4-2)16-13/h5-7H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline?
2,5-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 2,5-diethyl-1H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 67851997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).