1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one

HCID 54681

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Basic information

CAS: 81023-04-3
Standard SMILES: COc1cc2c(cc1OC)C(n1ncc(=O)c3ccccc31)OC2=O
InChIKey: YFZMMEREHSMKTO-UHFFFAOYSA-N
Molecular formula: C18H14N2O5
Average molar mass: 338.3 g/mol
Monoisotopic mass: 338.09027155

Names & identifiers

Preferred name: 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one
IUPAC: 1-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)cinnolin-4-one

Names & synonyms

81023-04-3DTXSID7010017131-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-oneRefChem:1054485DTXCID301428658BRN 51429321-(1,3-Dihydro-5,6-dimethoxy-3-oxoisobenzofuran-1-yl)cinnolin-4(1H)-one1-(5',6'-Dimethoxy-3'-oxo-1',3'-dihydroisobenzofuran-1'-yl)cinnolin-4(1H)-oneCINNOLIN-4(1H)-ONE, 1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)-

Database identifiers

CAS: 81023-04-3
PubChem CID: 54681
DTXSID: DTXSID701001713

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 77.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 580

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