7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

C20H24N2O — CID 13457941

IUPAC7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCOc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3
InChIKeyFEYVWLGBAFHKBN-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.13
Rot. Bonds2

About 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (PubChem CID 13457941) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
PubChem CID13457941
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
SMILESCOc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1
InChIInChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3
InChIKeyFEYVWLGBAFHKBN-UHFFFAOYSA-N
XLogP3.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The IUPAC name of 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline (CID 13457941) is 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The canonical SMILES for 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is COc1ccc(C2CN3CCN(C)CC3c3ccccc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
The InChIKey is FEYVWLGBAFHKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-11-12-22-13-19(15-7-9-16(23-2)10-8-15)17-5-3-4-6-18(17)20(22)14-21/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline?
7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline has a molecular weight of 308.43 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 13457941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).