6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline

C18H19NO3 — CID 626628

IUPAC6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1cccc(C2=NCCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C18H19NO3/c1-20-14-6-4-5-13(9-14)18-15-11-17(22-3)16(21-2)10-12(15)7-8-19-18/h4-6,9-11H,7-8H2,1-3H3
InChIKeyOGVNHOMELRLNEM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds4

About 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline

6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline (PubChem CID 626628) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
PubChem CID626628
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1cccc(C2=NCCc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C18H19NO3/c1-20-14-6-4-5-13(9-14)18-15-11-17(22-3)16(21-2)10-12(15)7-8-19-18/h4-6,9-11H,7-8H2,1-3H3
InChIKeyOGVNHOMELRLNEM-UHFFFAOYSA-N
XLogP3.11
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780
1-(3-chloro-5-methoxy-1-benzothiophen-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 71115997
1-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 71115925
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 139635568
6,7-dimethyl-1-phenyl-3,4-dihydroisoquinoline
CID 156695134
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
CID 10273393
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-6,7-dimethoxyisoquinoline
CID 44817458
1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 2735778

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline (CID 626628) is 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline is COc1cccc(C2=NCCc3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline?
The InChIKey is OGVNHOMELRLNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-14-6-4-5-13(9-14)18-15-11-17(22-3)16(21-2)10-12(15)7-8-19-18/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline has a molecular weight of 297.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).