1,2,3,4-Tetrahydro-6,7,8-trimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

HCID 19974540
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(c(OC)c1OC)CN(CCc1ccc([N+](=O)[O-])cc1)CC2
InChIKey
WGTPVAPADNMEMS-UHFFFAOYSA-N
Molecular formula
C20H24N2O5
Average molar mass
372.4 g/mol

Names & identifiers

Preferred name
1,2,3,4-Tetrahydro-6,7,8-trimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline
IUPAC
6,7,8-trimethoxy-2-[2-(4-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline

Names & synonyms

SCHEMBL8789000WGTPVAPADNMEMS-UHFFFAOYSA-N1,2,3,4-Tetrahydro-6,7,8-trimethoxy-2-[2-(4-nitrophenyl)ethyl]isoquinoline

Database identifiers

PubChem CID
19974540

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
76.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

Loading…