7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

C15H20BrN3O — CID 84646679

IUPAC7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCc1cc(Br)c2c(c1)N1C(=O)CNCC1CN2C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)18-8-11-6-17-7-14(20)19(11)13-5-10(3)4-12(16)15(13)18/h4-5,9,11,17H,6-8H2,1-3H3
InChIKeyJHSZEWNTALQMMG-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.29
Rot. Bonds1

About 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one

7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (PubChem CID 84646679) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
PubChem CID84646679
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
SMILESCc1cc(Br)c2c(c1)N1C(=O)CNCC1CN2C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)18-8-11-6-17-7-14(20)19(11)13-5-10(3)4-12(16)15(13)18/h4-5,9,11,17H,6-8H2,1-3H3
InChIKeyJHSZEWNTALQMMG-UHFFFAOYSA-N
XLogP2.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-9-methyl-6-propan-2-yl-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 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The IUPAC name of 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one (CID 84646679) is 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The canonical SMILES for 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is Cc1cc(Br)c2c(c1)N1C(=O)CNCC1CN2C(C)C.
What is the InChIKey of 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
The InChIKey is JHSZEWNTALQMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)18-8-11-6-17-7-14(20)19(11)13-5-10(3)4-12(16)15(13)18/h4-5,9,11,17H,6-8H2,1-3H3.
What are the key properties of 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one?
7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one has a molecular weight of 338.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-methyl-6-propan-2-yl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 84646679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).