Methyl quinoline-3-carboxylate
Basic information
- CAS
53951-84-1- Standard SMILES
COC(=O)c1cnc2ccccc2c1- InChIKey
CWRATHCADZOYAT-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- Methyl quinoline-3-carboxylate
- IUPAC
- methyl quinoline-3-carboxylate
- English name
- methyl quinoline-3-carboxylate
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
methyl quinoline-3-carboxylate53951-84-1DTXSID80292961RefChem:1089642DTXCID80244102MFCD03550859Quinoline-3-carboxylic acid methyl estermethyl 3-quinolinecarboxylateNCIOpen2_001105CHEMBL12092SCHEMBL2031896METHYL3-QUINOLINECARBOXYLATE
Show more names
Methyl-Quinolone-3-Carboxylate3-Quinolinecarboxylic acid, methyl ester
NSC86584Methylquinoline-3-carboxylateSCHEMBL4923644SCHEMBL5547724SCHEMBL16289046SCHEMBL28351499SCHEMBL29505143DCA95184
Database identifiers
- CAS
53951-84-1- PubChem CID
- 257955
- DTXSID
DTXSID80292961- ChEMBL
CHEMBL12092- Nikkaji
- J796.079D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
LogP2.25
Physicochemical properties
- Melting point
- 73 · 73-74 °C
- Boiling point
- 294.5 · 294.5±13.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.11 · 3.11±0.11(Predicted)
- Appearance
- Off-white to light yellow Solid
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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