6,7-Dichloro-1-(3,4,5-trimethyoxybenzyl)isoquinoline hydrochloride

HCID 21294900
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Basic information

Standard SMILES
COc1cc(Cc2nccc3cc(Cl)c(Cl)cc23)cc(OC)c1OC.Cl
InChIKey
QGMULEGCTCLWPS-UHFFFAOYSA-N
Molecular formula
C19H18Cl3NO3
Average molar mass
414.7 g/mol
Monoisotopic mass
413.035227

Names & identifiers

Preferred name
6,7-Dichloro-1-(3,4,5-trimethyoxybenzyl)isoquinoline hydrochloride
IUPAC
6,7-dichloro-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline;hydrochloride

Names & synonyms

SCHEMBL10677574QGMULEGCTCLWPS-UHFFFAOYSA-N6,7-dichloro-1-(3,4,5-trimethyoxybenzyl)isoquinoline hydrochloride

Database identifiers

PubChem CID
21294900

Properties

Computed structural properties

Topological polar surface area
40.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
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Compound notes

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