1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline

C20H23NO4 — CID 134120705

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc(CC2=NCCc3cc(OC)c(OC)cc32)cc(OC)c1
InChIInChI=1S/C20H23NO4/c1-22-15-7-13(8-16(11-15)23-2)9-18-17-12-20(25-4)19(24-3)10-14(17)5-6-21-18/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyLNEHSOGTQQAUTO-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.31
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline

1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 134120705) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID134120705
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc(CC2=NCCc3cc(OC)c(OC)cc32)cc(OC)c1
InChIInChI=1S/C20H23NO4/c1-22-15-7-13(8-16(11-15)23-2)9-18-17-12-20(25-4)19(24-3)10-14(17)5-6-21-18/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyLNEHSOGTQQAUTO-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

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
CID 135817515
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanamine;hydrochloride
CID 54611410
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
1-(chloromethyl)-7,8-dimethoxy-4,5-dihydro-3H-2-benzazepine
CID 12018662
N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-N-phenylaniline;hydrochloride
CID 70505599
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
CID 59626596
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(3-iodophenyl)urea
CID 4160835
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 139635568

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 134120705) is 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc(CC2=NCCc3cc(OC)c(OC)cc32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is LNEHSOGTQQAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-22-15-7-13(8-16(11-15)23-2)9-18-17-12-20(25-4)19(24-3)10-14(17)5-6-21-18/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-[(3,5-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 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 134120705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).