8-(Acetyloxy)-2-phenyl-4-quinolinecarboxylic acid
Basic information
- CAS
174636-92-1- Standard SMILES
CC(=O)Oc1cccc2c(C(=O)O)cc(-c3ccccc3)nc12- InChIKey
QAQTYMFWBAFDDF-UHFFFAOYSA-N- Molecular formula
- C18H13NO4
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.0844579
Names & identifiers
- Preferred name
- 8-(Acetyloxy)-2-phenyl-4-quinolinecarboxylic acid
- IUPAC
- 8-acetyloxy-2-phenylquinoline-4-carboxylic acid
Names & synonyms
8-(Acetyloxy)-2-phenyl-4-quinolinecarboxylic acid174636-92-1RefChem:311637NSC1202118-(acetyloxy)-2-phenylquinoline-4-carboxylic acidSCHEMBL7826492DTXSID801233256NSC-120211
Database identifiers
- CAS
174636-92-1- PubChem CID
- 274259
- DTXSID
DTXSID801233256
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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