1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline

C20H23NO5 — CID 44625349

IUPAC1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC
InChIInChI=1S/C20H23NO5/c1-22-14-7-6-13(11-15(14)23-2)18-17-12(8-9-21-18)10-16(24-3)19(25-4)20(17)26-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyVJQJTMLKKJMRDJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline

1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline (PubChem CID 44625349) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
PubChem CID44625349
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC
InChIInChI=1S/C20H23NO5/c1-22-14-7-6-13(11-15(14)23-2)18-17-12(8-9-21-18)10-16(24-3)19(25-4)20(17)26-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyVJQJTMLKKJMRDJ-UHFFFAOYSA-N
XLogP3.12
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 11995365
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene
CID 100937143
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
CID 86074646
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
CID 135817515
9-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrocyclopenta[b]quinolin-1-one
CID 134913983
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
CID 44817458
(7R)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
CID 638269
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
CID 135470258
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline (CID 44625349) is 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline is COc1ccc(C2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The InChIKey is VJQJTMLKKJMRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-22-14-7-6-13(11-15(14)23-2)18-17-12(8-9-21-18)10-16(24-3)19(25-4)20(17)26-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline has a molecular weight of 357.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 44625349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).