4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde
Basic information
- CAS
7509-16-2- Standard SMILES
O=Cc1c(-c2ccccc2)[nH]c2ccccc2c1=O- InChIKey
ZQEGAPPIYYSYCW-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Names & identifiers
- Preferred name
- 4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde
- IUPAC
- 4-oxo-2-phenyl-1H-quinoline-3-carbaldehyde
Names & synonyms
NSC4072607509-16-2CHEMBL1973566SCHEMBL18079065DTXSID10324623NSC-407260NCI60_0038674-Oxo-2-phenyl-1,4-dihydroquinoline-3-carbaldehyde
Database identifiers
- CAS
7509-16-2- PubChem CID
- 348143
- DTXSID
DTXSID10324623- ChEMBL
CHEMBL1973566
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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