4-Hydroxy-6-propoxyquinoline-3-carboxylic acid
Basic information
- CAS
111185-92-3- Standard SMILES
CCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2c1- InChIKey
QHIMSSNWTXCKGC-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 4-Hydroxy-6-propoxyquinoline-3-carboxylic acid
- IUPAC
- 4-oxo-6-propoxy-1H-quinoline-3-carboxylic acid
Names & synonyms
4-hydroxy-6-propoxyquinoline-3-carboxylic acid111185-92-3MLS0000691354-Hydroxy-6-propoxy-quinoline-3-carboxylic acid4-oxo-6-propoxy-1H-quinoline-3-carboxylic acidOprea1_608284CHEMBL425808SCHEMBL28054743DTXSID401208649HMS2334O05CCG-23818SBB080904
Show more names
AKOS000273275AKOS000535278SMR000013169EU-0082663ST501978074-oxo-6-propoxyhydroquinoline-3-carboxylic acid1,4-Dihydro-4-oxo-6-propoxy-3-quinolinecarboxylic acid4-Oxo-6-propoxy-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
111185-92-3- PubChem CID
- 654471
- DTXSID
DTXSID401208649- ChEMBL
CHEMBL425808
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
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Related reactions
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Compound notes
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