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

C20H23NO4 — CID 101485543

IUPAC1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C(OC)(OC)c1ccccc1)=NCC2
InChIInChI=1S/C20H23NO4/c1-22-17-12-14-10-11-21-19(16(14)13-18(17)23-2)20(24-3,25-4)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3
InChIKeyOJSKWHQIZUROMA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.19
Rot. Bonds6

About 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline

1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 101485543) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID101485543
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C(OC)(OC)c1ccccc1)=NCC2
InChIInChI=1S/C20H23NO4/c1-22-17-12-14-10-11-21-19(16(14)13-18(17)23-2)20(24-3,25-4)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3
InChIKeyOJSKWHQIZUROMA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
1-[dichloro(ethylsulfanyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 102300235
tert-butyl-[(S)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethoxy]-dimethylsilane
CID 102577252
1-[1-(4-tert-butylphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 68911343
N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-N-phenylaniline;hydrochloride
CID 70505599
1-[1-(4-tert-butylphenyl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 68918424
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 10568385
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 101485543) is 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(C(OC)(OC)c1ccccc1)=NCC2.
What is the InChIKey of 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is OJSKWHQIZUROMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-22-17-12-14-10-11-21-19(16(14)13-18(17)23-2)20(24-3,25-4)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 341.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 101485543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).