6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C20H25NO5 — CID 2825094

IUPAC6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2
InChIInChI=1S/C20H25NO5/c1-22-15-8-12-6-7-21-19(14(12)11-16(15)23-2)13-9-17(24-3)20(26-5)18(10-13)25-4/h8-11,19,21H,6-7H2,1-5H3
InChIKeyUGOVBXCSQHMXPG-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.96
Rot. Bonds6

About 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2825094) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID2825094
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2
InChIInChI=1S/C20H25NO5/c1-22-15-8-12-6-7-21-19(14(12)11-16(15)23-2)13-9-17(24-3)20(26-5)18(10-13)25-4/h8-11,19,21H,6-7H2,1-5H3
InChIKeyUGOVBXCSQHMXPG-UHFFFAOYSA-N
XLogP2.96
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 2825094) is 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UGOVBXCSQHMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-22-15-8-12-6-7-21-19(14(12)11-16(15)23-2)13-9-17(24-3)20(26-5)18(10-13)25-4/h8-11,19,21H,6-7H2,1-5H3.
What are the key properties of 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 359.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2825094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).