N-(2-bromo-4-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

HCID 5224714

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Basic information

CAS: 6827-89-0
Standard SMILES: CCOc1ccc(-n2cc(C(=O)Nc3ccc(C)cc3Br)c3cc(OC)c(OC)cc3c2=O)cc1
InChIKey: UIFUWKSSEXQLRM-UHFFFAOYSA-N
Molecular formula: C27H25BrN2O5
Average molar mass: 537.4 g/mol
Monoisotopic mass: 536.09468

Names & identifiers

Preferred name: N-(2-bromo-4-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
IUPAC: N-(2-bromo-4-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide

Names & synonyms

N-(2-bromo-4-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide6827-89-0N-(2-bromo-4-methylphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamideDTXSID40411338AKOS001779899EU-0054510

Database identifiers

CAS: 6827-89-0
PubChem CID: 5224714
DTXSID: DTXSID40411338

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 77.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 784

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