3,4-dihydro-1H-isoquinolin-2-yl-(2,3-diphenylquinoxalin-6-yl)methanone
Basic information
- CAS
7047-08-7- Standard SMILES
O=C(c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCc2ccccc2C1- InChIKey
BLWFNTMADXWUJY-UHFFFAOYSA-N- Molecular formula
- C30H23N3O
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.18411237
Names & identifiers
- Preferred name
- 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-diphenylquinoxalin-6-yl)methanone
- IUPAC
- 3,4-dihydro-1H-isoquinolin-2-yl-(2,3-diphenylquinoxalin-6-yl)methanone
Names & synonyms
7047-08-73,4-dihydro-1H-isoquinolin-2-yl-(2,3-diphenylquinoxalin-6-yl)methanoneDTXSID50414092AKOS002728885(3,4-Dihydroisoquinolin-2(1H)-yl)(2,3-diphenylquinoxalin-6-yl)methanone
Database identifiers
- CAS
7047-08-7- PubChem CID
- 5261815
- DTXSID
DTXSID50414092
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
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Compound notes
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