Methyl 2,8-dimethylquinoline-4-carboxylate
Basic information
- CAS
590376-55-9- Standard SMILES
COC(=O)c1cc(C)nc2c(C)cccc12- InChIKey
WDZVLUXSSCASEF-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- Methyl 2,8-dimethylquinoline-4-carboxylate
- IUPAC
- methyl 2,8-dimethylquinoline-4-carboxylate
- English name
- 4-Quinolinecarboxylicacid,2,8-dimethyl-,methylester(9CI)
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
methyl 2,8-dimethylquinoline-4-carboxylate590376-55-9SCHEMBL19178982DTXSID40403612STK441252AKOS003327414ST50845746METHYL 2,8-DIMETHYL-4-QUINOLINECARBOXYLATE4-Quinolinecarboxylic acid, 2,8-dimethyl-, methyl ester4-Quinolinecarboxylicacid,2,8-dimethyl-,methylester(9CI)
Database identifiers
- CAS
590376-55-9- PubChem CID
- 4470580
- DTXSID
DTXSID40403612
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 330.8 · 330.8±37.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.50(Predicted)
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Compound notes
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