8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

C14H18BrN3O — CID 84646142

IUPAC8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2c(C)cc(Br)cc21
InChIInChI=1S/C14H18BrN3O/c1-3-17-8-11-6-16-7-13(19)18(11)14-9(2)4-10(15)5-12(14)17/h4-5,11,16H,3,6-8H2,1-2H3
InChIKeyZRCXYNYIUMYZLN-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.90
Rot. Bonds1

About 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (PubChem CID 84646142) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
PubChem CID84646142
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2c(C)cc(Br)cc21
InChIInChI=1S/C14H18BrN3O/c1-3-17-8-11-6-16-7-13(19)18(11)14-9(2)4-10(15)5-12(14)17/h4-5,11,16H,3,6-8H2,1-2H3
InChIKeyZRCXYNYIUMYZLN-UHFFFAOYSA-N
XLogP1.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The IUPAC name of 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (CID 84646142) is 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The canonical SMILES for 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is CCN1CC2CNCC(=O)N2c2c(C)cc(Br)cc21.
What is the InChIKey of 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The InChIKey is ZRCXYNYIUMYZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-17-8-11-6-16-7-13(19)18(11)14-9(2)4-10(15)5-12(14)17/h4-5,11,16H,3,6-8H2,1-2H3.
What are the key properties of 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one has a molecular weight of 324.22 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-ethyl-10-methyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 84646142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).