1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline

C12H9BrClN3 — CID 71741638

IUPAC1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline
SMILESCc1cc2nc(Cl)c3ncc(Br)n3c2cc1C
InChIInChI=1S/C12H9BrClN3/c1-6-3-8-9(4-7(6)2)17-10(13)5-15-12(17)11(14)16-8/h3-5H,1-2H3
InChIKeyUKVJZVSOGZEXJU-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.92
Rot. Bonds

About 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline

1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline (PubChem CID 71741638) has the molecular formula C12H9BrClN3 and a molecular weight of 310.58 g/mol. Its IUPAC name is 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline.

Molecular Properties

Compound Name1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline
PubChem CID71741638
Molecular FormulaC12H9BrClN3
Molecular Weight310.58 g/mol
Exact Mass308.97
IUPAC Name1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline
SMILESCc1cc2nc(Cl)c3ncc(Br)n3c2cc1C
InChIInChI=1S/C12H9BrClN3/c1-6-3-8-9(4-7(6)2)17-10(13)5-15-12(17)11(14)16-8/h3-5H,1-2H3
InChIKeyUKVJZVSOGZEXJU-UHFFFAOYSA-N
XLogP3.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline?
The IUPAC name of 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline (CID 71741638) is 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline.
What is the SMILES notation for 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline?
The canonical SMILES for 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline is Cc1cc2nc(Cl)c3ncc(Br)n3c2cc1C.
What is the InChIKey of 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline?
The InChIKey is UKVJZVSOGZEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3/c1-6-3-8-9(4-7(6)2)17-10(13)5-15-12(17)11(14)16-8/h3-5H,1-2H3.
What are the key properties of 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline?
1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline has a molecular weight of 310.58 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-7,8-dimethylimidazo[1,2-a]quinoxaline is sourced from PubChem (CID 71741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).