(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one

C14H18N2O2 — CID 24826957

IUPAC(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
SMILESCOc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12(18-2)11-7-10-8-15-5-6-16(10)14(17)13(9)11/h3-4,10,15H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyHATSPAUQABBECE-SNVBAGLBSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds1

About (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one

(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one (PubChem CID 24826957) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one.

Molecular Properties

Compound Name(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
PubChem CID24826957
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
SMILESCOc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12(18-2)11-7-10-8-15-5-6-16(10)14(17)13(9)11/h3-4,10,15H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyHATSPAUQABBECE-SNVBAGLBSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one?
The IUPAC name of (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one (CID 24826957) is (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one.
What is the SMILES notation for (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one?
The canonical SMILES for (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one is COc1ccc(C)c2c1C[C@@H]1CNCCN1C2=O.
What is the InChIKey of (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one?
The InChIKey is HATSPAUQABBECE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-3-4-12(18-2)11-7-10-8-15-5-6-16(10)14(17)13(9)11/h3-4,10,15H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one?
(11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one has a molecular weight of 246.31 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11aR)-10-methoxy-7-methyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one is sourced from PubChem (CID 24826957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).