Basic information
- Standard SMILES
COc1ccc(C(=O)c2nccc3ccccc23)cc1- InChIKey
AEHSAUPWRMSRNX-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- Isoquinolyl 4-methoxyphenyl ketone
- IUPAC
- isoquinolin-1-yl-(4-methoxyphenyl)methanone
Names & synonyms
Oprea1_799084Oprea1_800642MLS000516298CHEMBL549291IFLab1_005087SCHEMBL1445542AEHSAUPWRMSRNX-UHFFFAOYSA-Nisoquinolyl 4-methoxyphenyl ketoneHMS1426H05HMS2708N151-Isoquinolyl(4-methoxyphenyl)ketoneAKOS000808019
Show more names
SMR000372949EU-0047376ST50037065SR-01000746439SR-01000746439-2Z56903975
Database identifiers
- PubChem CID
- 693112
- ChEMBL
CHEMBL549291- Nikkaji
- J3.173.323E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
7 records
Compound notes
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