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

C19H22BrNO4 — CID 2855299

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(Br)c(C2NCCc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-22-15-7-11-5-6-21-19(12(11)8-16(15)23-2)13-9-17(24-3)18(25-4)10-14(13)20/h7-10,19,21H,5-6H2,1-4H3
InChIKeyUPDZXQZVUVQEOV-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.72
Rot. Bonds5

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

1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 2855299) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID2855299
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc(Br)c(C2NCCc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-22-15-7-11-5-6-21-19(12(11)8-16(15)23-2)13-9-17(24-3)18(25-4)10-14(13)20/h7-10,19,21H,5-6H2,1-4H3
InChIKeyUPDZXQZVUVQEOV-UHFFFAOYSA-N
XLogP3.72
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 2855299) is 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc(Br)c(C2NCCc3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UPDZXQZVUVQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-22-15-7-11-5-6-21-19(12(11)8-16(15)23-2)13-9-17(24-3)18(25-4)10-14(13)20/h7-10,19,21H,5-6H2,1-4H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 408.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 2855299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).