2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

HCID 5224713

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Basic information

CAS: 6827-88-9
Standard SMILES: CCOc1ccc(-n2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3c2=O)cc1
InChIKey: LDAWTOJOJPMVPE-UHFFFAOYSA-N
Molecular formula: C27H23F3N2O5
Average molar mass: 512.5 g/mol
Monoisotopic mass: 512.15590632

Names & identifiers

Preferred name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide
IUPAC: 2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

Names & synonyms

2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide6827-88-92-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroisoquinoline-4-carboxamideDTXSID80411337AKOS001779800SR-01000547272SR-01000547272-1

Database identifiers

CAS: 6827-88-9
PubChem CID: 5224713
DTXSID: DTXSID80411337

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 77.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 37
Formal charge: 0
Complexity: 842

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