3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline

C20H23NO4 — CID 30060

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(CC2Cc3cc(OC)c(OC)cc3C=N2)cc1OC
InChIInChI=1S/C20H23NO4/c1-22-17-6-5-13(8-18(17)23-2)7-16-9-14-10-19(24-3)20(25-4)11-15(14)12-21-16/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyDJBQMOKXDOEAAA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.31
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline

3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 30060) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID30060
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(CC2Cc3cc(OC)c(OC)cc3C=N2)cc1OC
InChIInChI=1S/C20H23NO4/c1-22-17-6-5-13(8-18(17)23-2)7-16-9-14-10-19(24-3)20(25-4)11-15(14)12-21-16/h5-6,8,10-12,16H,7,9H2,1-4H3
InChIKeyDJBQMOKXDOEAAA-UHFFFAOYSA-N
XLogP3.31
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline with MolForge

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

Launch Full Analysis

Related Compounds

Tofisopam
CID 5502
Dextofisopam
CID 204105
1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
Levotofisopam
CID 7048810
3,4-Dihydro-6,7-dimethoxyisoquinoline
CID 30058
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CID 22652
Veratraldehyde azine
CID 9566466
Diproteverine
CID 50463
1-(2,6-Dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 334136
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 30060) is 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1ccc(CC2Cc3cc(OC)c(OC)cc3C=N2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is DJBQMOKXDOEAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-22-17-6-5-13(8-18(17)23-2)7-16-9-14-10-19(24-3)20(25-4)11-15(14)12-21-16/h5-6,8,10-12,16H,7,9H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 341.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 30060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).