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

C14H20ClNO4 — CID 20847993

IUPACmethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride
SMILESCOC(=O)CC1NCCc2cc(OC)c(OC)cc21.Cl
InChIInChI=1S/C14H19NO4.ClH/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;1H
InChIKeySEDWDGKSQQQPBZ-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.88
Rot. Bonds4

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

methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride (PubChem CID 20847993) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride
PubChem CID20847993
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride
SMILESCOC(=O)CC1NCCc2cc(OC)c(OC)cc21.Cl
InChIInChI=1S/C14H19NO4.ClH/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;1H
InChIKeySEDWDGKSQQQPBZ-UHFFFAOYSA-N
XLogP1.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.88
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;hydrochloride?
The IUPAC name of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride (CID 20847993) is methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride is COC(=O)CC1NCCc2cc(OC)c(OC)cc21.Cl.
What is the InChIKey of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride?
The InChIKey is SEDWDGKSQQQPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.ClH/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;1H.
What are the key properties of methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride?
methyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.88, 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;hydrochloride is sourced from PubChem (CID 20847993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).