N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
Basic information
- CAS
6828-19-9- Standard SMILES
COc1ccc(C2C(C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1- InChIKey
BMTCGDWEBYGUDY-UHFFFAOYSA-N- Molecular formula
- C32H29FN2O5
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.20605019
Names & identifiers
- Preferred name
- N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
- IUPAC
- N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
Names & synonyms
6828-19-9N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamideN-(3,4-Dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamideDTXSID30411509AKOS001495397AKOS021661180EU-0054810SR-01000549409SR-01000549409-1
Database identifiers
- CAS
6828-19-9- PubChem CID
- 5227085
- DTXSID
DTXSID30411509
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 843
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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