5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide

C15H22BrNO2 — CID 3044676

IUPAC5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide
SMILESBr.COc1c2c(c3c(c1OC)CN(C)CC3)CCC2
InChIInChI=1S/C15H21NO2.BrH/c1-16-8-7-11-10-5-4-6-12(10)14(17-2)15(18-3)13(11)9-16;/h4-9H2,1-3H3;1H
InChIKeyJAPBNXREPSHNTR-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.76
Rot. Bonds2

About 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide

5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide (PubChem CID 3044676) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide.

Molecular Properties

Compound Name5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide
PubChem CID3044676
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide
SMILESBr.COc1c2c(c3c(c1OC)CN(C)CC3)CCC2
InChIInChI=1S/C15H21NO2.BrH/c1-16-8-7-11-10-5-4-6-12(10)14(17-2)15(18-3)13(11)9-16;/h4-9H2,1-3H3;1H
InChIKeyJAPBNXREPSHNTR-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide 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 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide?
The IUPAC name of 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide (CID 3044676) is 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide.
What is the SMILES notation for 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide?
The canonical SMILES for 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide is Br.COc1c2c(c3c(c1OC)CN(C)CC3)CCC2.
What is the InChIKey of 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide?
The InChIKey is JAPBNXREPSHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.BrH/c1-16-8-7-11-10-5-4-6-12(10)14(17-2)15(18-3)13(11)9-16;/h4-9H2,1-3H3;1H.
What are the key properties of 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide?
5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide has a molecular weight of 328.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline;hydrobromide is sourced from PubChem (CID 3044676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).