Basic information
- CAS
78317-97-2- Standard SMILES
O=C(O)c1c(-c2ccccc2)cnc2ccccc12- InChIKey
CGLYUMRYFOEGNE-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Names & identifiers
- Preferred name
- Mls003115721
- IUPAC
- 3-phenylquinoline-4-carboxylic acid
Names & synonyms
78317-97-2MLS003115721DTXSID20315860RefChem:357314DTXCID602669833-phenylquinoline-4-carboxylic acid3-Phenyl-4-quinolinecarboxylic acidNSC297897SCHEMBL4347338AKOS040854300NSC-297897SMR001831292
Show more names
DB-152199EN300-18888933F3162-0172
Database identifiers
- CAS
78317-97-2- PubChem CID
- 326461
- DTXSID
DTXSID20315860- EC Number
- 192-608-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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