7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one

C13H16N2O2 — CID 115107521

IUPAC7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
SMILESCOc1cccc2c1CCC1C(=O)NCCN21
InChIInChI=1S/C13H16N2O2/c1-17-12-4-2-3-10-9(12)5-6-11-13(16)14-7-8-15(10)11/h2-4,11H,5-8H2,1H3,(H,14,16)
InChIKeyUWIOOPYORBMAFU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.95
Rot. Bonds1

About 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one

7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one (PubChem CID 115107521) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
PubChem CID115107521
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one
SMILESCOc1cccc2c1CCC1C(=O)NCCN21
InChIInChI=1S/C13H16N2O2/c1-17-12-4-2-3-10-9(12)5-6-11-13(16)14-7-8-15(10)11/h2-4,11H,5-8H2,1H3,(H,14,16)
InChIKeyUWIOOPYORBMAFU-UHFFFAOYSA-N
XLogP0.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The IUPAC name of 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one (CID 115107521) is 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one.
What is the SMILES notation for 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The canonical SMILES for 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one is COc1cccc2c1CCC1C(=O)NCCN21.
What is the InChIKey of 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
The InChIKey is UWIOOPYORBMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-12-4-2-3-10-9(12)5-6-11-13(16)14-7-8-15(10)11/h2-4,11H,5-8H2,1H3,(H,14,16).
What are the key properties of 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one?
7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one has a molecular weight of 232.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4a,5,6-hexahydropyrazino[1,2-a]quinolin-4-one is sourced from PubChem (CID 115107521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).