6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline

C11H9ClN4 — CID 21435971

IUPAC6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline
SMILESCCc1nc2nc3ccc(Cl)cc3nc2[nH]1
InChIInChI=1S/C11H9ClN4/c1-2-9-15-10-11(16-9)14-8-5-6(12)3-4-7(8)13-10/h3-5H,2H2,1H3,(H,13,14,15,16)
InChIKeyGLURLAOFZMNBIQ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.72
Rot. Bonds1

About 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline

6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline (PubChem CID 21435971) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline
PubChem CID21435971
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline
SMILESCCc1nc2nc3ccc(Cl)cc3nc2[nH]1
InChIInChI=1S/C11H9ClN4/c1-2-9-15-10-11(16-9)14-8-5-6(12)3-4-7(8)13-10/h3-5H,2H2,1H3,(H,13,14,15,16)
InChIKeyGLURLAOFZMNBIQ-UHFFFAOYSA-N
XLogP2.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline (CID 21435971) is 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline is CCc1nc2nc3ccc(Cl)cc3nc2[nH]1.
What is the InChIKey of 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline?
The InChIKey is GLURLAOFZMNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-2-9-15-10-11(16-9)14-8-5-6(12)3-4-7(8)13-10/h3-5H,2H2,1H3,(H,13,14,15,16).
What are the key properties of 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline?
6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline has a molecular weight of 232.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 21435971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).