3-Butyl-2-phenyl-4-quinolinecarboxylic acid
Basic information
- CAS
224633-10-7- Standard SMILES
CCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O- InChIKey
FFNFHABJMUZSGQ-UHFFFAOYSA-N- Molecular formula
- C20H19NO2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.14157885
Names & identifiers
- Preferred name
- 3-Butyl-2-phenyl-4-quinolinecarboxylic acid
- IUPAC
- 3-butyl-2-phenylquinoline-4-carboxylic acid
Names & synonyms
3-Butyl-2-phenyl-4-quinolinecarboxylic acidDTXSID301260117224633-10-73-butyl-2-phenylquinoline-4-carboxylic acid
Database identifiers
- CAS
224633-10-7- PubChem CID
- 10756972
- DTXSID
DTXSID301260117
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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