7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one
Basic information
- CAS
57256-38-9- Standard SMILES
COc1ccc(C(=O)C2=NCCc3cc(O)c(OC)cc32)cc1- InChIKey
YNRMVGRWZAUYJH-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- 7-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-one
- IUPAC
- (6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone
Names & synonyms
57256-38-9NSC2674087-methoxy-1-(4-methoxybenzoyl)-3,4-dihydro-2H-isoquinolin-6-oneDTXSID70418431NSC-2674087-Methoxy-1-(4-methoxybenzoyl)-3,4-dihydroisoquinolin-6(2H)-one
Database identifiers
- CAS
57256-38-9- PubChem CID
- 320328
- DTXSID
DTXSID70418431
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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