2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide

C14H20N2O3 — CID 11076321

IUPAC2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(C)(CC(N)=O)NCC2
InChIInChI=1S/C14H20N2O3/c1-14(8-13(15)17)10-7-12(19-3)11(18-2)6-9(10)4-5-16-14/h6-7,16H,4-5,8H2,1-3H3,(H2,15,17)
InChIKeyLGTAHMDWPPARMV-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.94
Rot. Bonds4

About 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide

2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide (PubChem CID 11076321) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide
PubChem CID11076321
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(C)(CC(N)=O)NCC2
InChIInChI=1S/C14H20N2O3/c1-14(8-13(15)17)10-7-12(19-3)11(18-2)6-9(10)4-5-16-14/h6-7,16H,4-5,8H2,1-3H3,(H2,15,17)
InChIKeyLGTAHMDWPPARMV-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide?
The IUPAC name of 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide (CID 11076321) is 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide is COc1cc2c(cc1OC)C(C)(CC(N)=O)NCC2.
What is the InChIKey of 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide?
The InChIKey is LGTAHMDWPPARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(8-13(15)17)10-7-12(19-3)11(18-2)6-9(10)4-5-16-14/h6-7,16H,4-5,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide?
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-2H-isoquinolin-1-yl)acetamide is sourced from PubChem (CID 11076321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).