methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

C14H19NO4 — CID 3416224

IUPACmethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
SMILESCOC(=O)CC1NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO4/c1-17-12-6-9-4-5-15-11(8-14(16)19-3)10(9)7-13(12)18-2/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyNVXHORURRXLOGZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.45
Rot. Bonds4

About methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate (PubChem CID 3416224) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
PubChem CID3416224
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
SMILESCOC(=O)CC1NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C14H19NO4/c1-17-12-6-9-4-5-15-11(8-14(16)19-3)10(9)7-13(12)18-2/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyNVXHORURRXLOGZ-UHFFFAOYSA-N
XLogP1.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate (CID 3416224) is methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is COC(=O)CC1NCCc2cc(OC)c(OC)cc21.
What is the InChIKey of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
The InChIKey is NVXHORURRXLOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-6-9-4-5-15-11(8-14(16)19-3)10(9)7-13(12)18-2/h6-7,11,15H,4-5,8H2,1-3H3.
What are the key properties of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate?
methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate is sourced from PubChem (CID 3416224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).