2-(Phenoxymethyl)-4-quinolinecarboxylic acid
Basic information
- CAS
24260-32-0- Standard SMILES
O=C(O)c1cc(COc2ccccc2)nc2ccccc12- InChIKey
TXRDYBCTMHUVTP-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- 2-(Phenoxymethyl)-4-quinolinecarboxylic acid
- IUPAC
- 2-(phenoxymethyl)quinoline-4-carboxylic acid
Names & synonyms
2-(Phenoxymethyl)-4-quinolinecarboxylic acidSCHEMBL10664344DTXSID60125935524260-32-02-(phenoxymethyl)quinoline-4-carboxylic acid
Database identifiers
- CAS
24260-32-0- PubChem CID
- 20150671
- DTXSID
DTXSID601259355
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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