2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide

C22H25N3O2 — CID 166177275

IUPAC2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CC(=O)N2CCc3ccccc3C2C1)NCCc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(23-12-10-17-6-2-1-3-7-17)15-24-14-20-19-9-5-4-8-18(19)11-13-25(20)22(27)16-24/h1-9,20H,10-16H2,(H,23,26)
InChIKeyAYDGRHXBFBIFKH-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.79
Rot. Bonds5

About 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide

2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 166177275) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID166177275
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CC(=O)N2CCc3ccccc3C2C1)NCCc1ccccc1
InChIInChI=1S/C22H25N3O2/c26-21(23-12-10-17-6-2-1-3-7-17)15-24-14-20-19-9-5-4-8-18(19)11-13-25(20)22(27)16-24/h1-9,20H,10-16H2,(H,23,26)
InChIKeyAYDGRHXBFBIFKH-UHFFFAOYSA-N
XLogP1.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide (CID 166177275) is 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide is O=C(CN1CC(=O)N2CCc3ccccc3C2C1)NCCc1ccccc1.
What is the InChIKey of 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is AYDGRHXBFBIFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(23-12-10-17-6-2-1-3-7-17)15-24-14-20-19-9-5-4-8-18(19)11-13-25(20)22(27)16-24/h1-9,20H,10-16H2,(H,23,26).
What are the key properties of 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide?
2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 166177275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).