2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one

C12H12N2O — CID 150898716

IUPAC2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNC=C2c3ccccc3CCN12
InChIInChI=1S/C12H12N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,7,13H,5-6,8H2
InChIKeyKZOCXOJWWVVJFX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.97
Rot. Bonds

About 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one

2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one (PubChem CID 150898716) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one
PubChem CID150898716
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one
SMILESO=C1CNC=C2c3ccccc3CCN12
InChIInChI=1S/C12H12N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,7,13H,5-6,8H2
InChIKeyKZOCXOJWWVVJFX-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one (CID 150898716) is 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one is O=C1CNC=C2c3ccccc3CCN12.
What is the InChIKey of 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is KZOCXOJWWVVJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-8-13-7-11-10-4-2-1-3-9(10)5-6-14(11)12/h1-4,7,13H,5-6,8H2.
What are the key properties of 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one?
2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 200.24 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 150898716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).