imidazo[4,5-e]quinoxaline

C9H6N4 — CID 19437655

IUPACimidazo[4,5-e]quinoxaline
SMILESC1=CC2=NC=NC23N=CC=NC3=C1
InChIInChI=1S/C9H6N4/c1-2-7-9(12-5-4-10-7)8(3-1)11-6-13-9/h1-6H
InChIKeyQPMJQZOFEMTSCG-UHFFFAOYSA-N
MW170.18 g/mol
LogP0.77
Rot. Bonds

About imidazo[4,5-e]quinoxaline

imidazo[4,5-e]quinoxaline (PubChem CID 19437655) has the molecular formula C9H6N4 and a molecular weight of 170.18 g/mol. Its IUPAC name is imidazo[4,5-e]quinoxaline.

Molecular Properties

Compound Nameimidazo[4,5-e]quinoxaline
PubChem CID19437655
Molecular FormulaC9H6N4
Molecular Weight170.18 g/mol
Exact Mass170.06
IUPAC Nameimidazo[4,5-e]quinoxaline
SMILESC1=CC2=NC=NC23N=CC=NC3=C1
InChIInChI=1S/C9H6N4/c1-2-7-9(12-5-4-10-7)8(3-1)11-6-13-9/h1-6H
InChIKeyQPMJQZOFEMTSCG-UHFFFAOYSA-N
XLogP0.77
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-e]quinoxaline?
The IUPAC name of imidazo[4,5-e]quinoxaline (CID 19437655) is imidazo[4,5-e]quinoxaline.
What is the SMILES notation for imidazo[4,5-e]quinoxaline?
The canonical SMILES for imidazo[4,5-e]quinoxaline is C1=CC2=NC=NC23N=CC=NC3=C1.
What is the InChIKey of imidazo[4,5-e]quinoxaline?
The InChIKey is QPMJQZOFEMTSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c1-2-7-9(12-5-4-10-7)8(3-1)11-6-13-9/h1-6H.
What are the key properties of imidazo[4,5-e]quinoxaline?
imidazo[4,5-e]quinoxaline has a molecular weight of 170.18 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-e]quinoxaline is sourced from PubChem (CID 19437655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).