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

C13H16BrN3O — CID 84645296

IUPAC10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2c(Br)cccc21
InChIInChI=1S/C13H16BrN3O/c1-2-16-8-9-6-15-7-12(18)17(9)13-10(14)4-3-5-11(13)16/h3-5,9,15H,2,6-8H2,1H3
InChIKeyGYDQRDNTRPWTED-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.59
Rot. Bonds1

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

10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (PubChem CID 84645296) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
PubChem CID84645296
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCCN1CC2CNCC(=O)N2c2c(Br)cccc21
InChIInChI=1S/C13H16BrN3O/c1-2-16-8-9-6-15-7-12(18)17(9)13-10(14)4-3-5-11(13)16/h3-5,9,15H,2,6-8H2,1H3
InChIKeyGYDQRDNTRPWTED-UHFFFAOYSA-N
XLogP1.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The IUPAC name of 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (CID 84645296) is 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The canonical SMILES for 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is CCN1CC2CNCC(=O)N2c2c(Br)cccc21.
What is the InChIKey of 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The InChIKey is GYDQRDNTRPWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-16-8-9-6-15-7-12(18)17(9)13-10(14)4-3-5-11(13)16/h3-5,9,15H,2,6-8H2,1H3.
What are the key properties of 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one has a molecular weight of 310.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 84645296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).