8-bromo-6-tert-butyl-1H-quinoxalin-2-one

C12H13BrN2O — CID 67413637

IUPAC8-bromo-6-tert-butyl-1H-quinoxalin-2-one
SMILESCC(C)(C)c1cc(Br)c2[nH]c(=O)cnc2c1
InChIInChI=1S/C12H13BrN2O/c1-12(2,3)7-4-8(13)11-9(5-7)14-6-10(16)15-11/h4-6H,1-3H3,(H,15,16)
InChIKeyLFDQFGFZHCNBJX-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.98
Rot. Bonds

About 8-bromo-6-tert-butyl-1H-quinoxalin-2-one

8-bromo-6-tert-butyl-1H-quinoxalin-2-one (PubChem CID 67413637) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 8-bromo-6-tert-butyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-bromo-6-tert-butyl-1H-quinoxalin-2-one
PubChem CID67413637
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name8-bromo-6-tert-butyl-1H-quinoxalin-2-one
SMILESCC(C)(C)c1cc(Br)c2[nH]c(=O)cnc2c1
InChIInChI=1S/C12H13BrN2O/c1-12(2,3)7-4-8(13)11-9(5-7)14-6-10(16)15-11/h4-6H,1-3H3,(H,15,16)
InChIKeyLFDQFGFZHCNBJX-UHFFFAOYSA-N
XLogP2.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-tert-butyl-1H-quinoxalin-2-one?
The IUPAC name of 8-bromo-6-tert-butyl-1H-quinoxalin-2-one (CID 67413637) is 8-bromo-6-tert-butyl-1H-quinoxalin-2-one.
What is the SMILES notation for 8-bromo-6-tert-butyl-1H-quinoxalin-2-one?
The canonical SMILES for 8-bromo-6-tert-butyl-1H-quinoxalin-2-one is CC(C)(C)c1cc(Br)c2[nH]c(=O)cnc2c1.
What is the InChIKey of 8-bromo-6-tert-butyl-1H-quinoxalin-2-one?
The InChIKey is LFDQFGFZHCNBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-12(2,3)7-4-8(13)11-9(5-7)14-6-10(16)15-11/h4-6H,1-3H3,(H,15,16).
What are the key properties of 8-bromo-6-tert-butyl-1H-quinoxalin-2-one?
8-bromo-6-tert-butyl-1H-quinoxalin-2-one has a molecular weight of 281.15 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-tert-butyl-1H-quinoxalin-2-one is sourced from PubChem (CID 67413637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).