6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbonyl chloride

HCID 21486964
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Basic information

Standard SMILES
COc1ccc(C2c3cc(OC)c(OC)cc3CCN2C(=O)Cl)cc1OC
InChIKey
LXIOOJWOIYSQSG-UHFFFAOYSA-N
Molecular formula
C20H22ClNO5
Average molar mass
391.8 g/mol
Monoisotopic mass
391.1186505

Names & identifiers

Preferred name
6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbonyl chloride
IUPAC
1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride

Names & synonyms

SCHEMBL11712545LXIOOJWOIYSQSG-UHFFFAOYSA-N6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarbonyl chloride

Database identifiers

PubChem CID
21486964

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
57.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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