3-(3,4-Dimethoxyphenyl)-6,7-dimethoxyisoquinoline

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Basic information

CAS: 69504-70-7
Standard SMILES: COc1ccc(-c2cc3cc(OC)c(OC)cc3cn2)cc1OC
InChIKey: LLYQTYHOTHOUQM-UHFFFAOYSA-N
Molecular formula: C19H19NO4
Average molar mass: 325.4 g/mol
Monoisotopic mass: 325.13140809

Names & identifiers

Preferred name: 3-(3,4-Dimethoxyphenyl)-6,7-dimethoxyisoquinoline
IUPAC: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline

Names & synonyms

3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline69504-70-7NSC290081Cambridge id 5610366Oprea1_586136SCHEMBL2457696CHEMBL1624526DTXSID10314943STL513195AKOS030489714NSC-290081AE-907/30535051

Database identifiers

CAS: 69504-70-7
PubChem CID: 324480
DTXSID: DTXSID10314943
ChEMBL: CHEMBL1624526

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 394

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