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

C21H25NO5 — CID 11995365

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(CC2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC
InChIInChI=1S/C21H25NO5/c1-23-16-7-6-13(11-17(16)24-2)10-15-19-14(8-9-22-15)12-18(25-3)20(26-4)21(19)27-5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyAEDVJJPLHPAOLN-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.32
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline (PubChem CID 11995365) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
PubChem CID11995365
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
SMILESCOc1ccc(CC2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC
InChIInChI=1S/C21H25NO5/c1-23-16-7-6-13(11-17(16)24-2)10-15-19-14(8-9-22-15)12-18(25-3)20(26-4)21(19)27-5/h6-7,11-12H,8-10H2,1-5H3
InChIKeyAEDVJJPLHPAOLN-UHFFFAOYSA-N
XLogP3.32
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 44625349
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
CID 135817515
1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
CID 146161521
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
6,7-dimethoxy-1-[[4-[2-methoxy-5-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 162996019
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-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
1-[(3,4-dipropoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 3052868
1-[[3,4-di(propan-2-yloxy)phenyl]methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
CID 3052866
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline (CID 11995365) is 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline is COc1ccc(CC2=NCCc3cc(OC)c(OC)c(OC)c32)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
The InChIKey is AEDVJJPLHPAOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-23-16-7-6-13(11-17(16)24-2)10-15-19-14(8-9-22-15)12-18(25-3)20(26-4)21(19)27-5/h6-7,11-12H,8-10H2,1-5H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline?
1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline has a molecular weight of 371.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 11995365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).