8-Methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
Basic information
- CAS
438227-14-6- Standard SMILES
Cc1ccc(-c2cc(C(=O)O)c3cccc(C)c3n2)o1- InChIKey
YMOJSLOOCZILHJ-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 8-Methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
- IUPAC
- 8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
- English name
- 8-Methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
438227-14-68-methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid8-methyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acidMFCD03420019Oprea1_392127DTXSID70404713ALBB-000499BBL016726STK431810AKOS003300168SB61190VS-05511
Show more names
IVK/10195078-methyl-2-(5-methyl-2-furyl)cinchoninic acid8-methyl-2-(5-methyl-2-furyl)-4-quinolinecarboxylic acid4-Quinolinecarboxylic acid, 8-methyl-2-(5-methyl-2-furanyl)-8-methyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid(SALTDATA: FREE)
CS-0317791ST50831449H20893F3074498-methyl-2-(5-methyl(2-furyl))quinoline-4-carboxylic acid
Database identifiers
- CAS
438227-14-6- PubChem CID
- 4597963
- DTXSID
DTXSID70404713
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 443.2 · 443.2±45.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 1.08 · 1.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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