7,8-Dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
Basic information
- CAS
725687-85-4- Standard SMILES
Cc1ccc(-c2cc(C(=O)O)c3ccc(C)c(C)c3n2)o1- InChIKey
TUQWVAUXLQTYPA-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 7,8-Dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
- IUPAC
- 7,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
- English name
- 7,8-dimethyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
725687-85-47,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid7,8-dimethyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic AcidMFCD051750547,8-Dimethyl-2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid4-quinolinecarboxylic acid, 7,8-dimethyl-2-(5-methyl-2-furanyl)-DTXSID301179211ALBB-011638BBL017574STK450279AKOS003353049VS-06293
Show more names
IVK/40301177,8-dimethyl-2-(5-methyl-2-furyl)cinchoninic acid4-quinolinecarboxylic acid, 7,8-dimethyl-2-(5-methyl-2-fur7,8-dimethyl-2-(5-methyl-2-furyl)-4-quinolinecarboxylic acid
CS-0319498H266087,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylicacid
Database identifiers
- CAS
725687-85-4- PubChem CID
- 4600767
- DTXSID
DTXSID301179211
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 460.5 · 460.5±45.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 1.22 · 1.22±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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