6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

C19H23NO4 — CID 4120006

IUPAC6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OCC2NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H23NO4/c1-21-14-4-6-15(7-5-14)24-12-17-16-11-19(23-3)18(22-2)10-13(16)8-9-20-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyQMLKYPDTAWXOFO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.98
Rot. Bonds6

About 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4120006) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID4120006
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(OCC2NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H23NO4/c1-21-14-4-6-15(7-5-14)24-12-17-16-11-19(23-3)18(22-2)10-13(16)8-9-20-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3
InChIKeyQMLKYPDTAWXOFO-UHFFFAOYSA-N
XLogP2.98
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 4120006) is 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1ccc(OCC2NCCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QMLKYPDTAWXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-21-14-4-6-15(7-5-14)24-12-17-16-11-19(23-3)18(22-2)10-13(16)8-9-20-17/h4-7,10-11,17,20H,8-9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 329.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4120006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).