2-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione

HCID 296142

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Basic information

CAS: 59903-02-5
Standard SMILES: COc1cc2c(cc1OC)C(CCN1C(=O)c3ccccc3C1=O)=NCC2
InChIKey: LWIJHYJZRGSQFN-UHFFFAOYSA-N
Molecular formula: C21H20N2O4
Average molar mass: 364.4 g/mol
Monoisotopic mass: 364.14230712

Names & identifiers

Preferred name: 2-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione
IUPAC: 2-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione

Names & synonyms

59903-02-5NSC1659972-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dioneDTXSID90304504NSC-1659972-[2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS: 59903-02-5
PubChem CID: 296142
DTXSID: DTXSID90304504

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 595

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