Ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Basic information
- CAS
64321-61-5- Standard SMILES
CCOC(=O)c1c[nH]c2ccc(C(C)C)cc2c1=O- InChIKey
JBFFEVKDAYLOKF-UHFFFAOYSA-N- Molecular formula
- C15H17NO3
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.1208434
Names & identifiers
- Preferred name
- Ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylate
- English name
- 3-Quinolinecarboxylic acid, 4-hydroxy-6-(1-methylethyl)-, ethyl ester
- Molecular formula
- C15H17NO3
- Molecular weight
- 259.3
Names & synonyms
64321-61-5ethyl 6-isopropyl-4-oxo-1,4-dihydroquinoline-3-carboxylateGNF-PF-3645ethyl 4-oxo-6-propan-2-yl-1H-quinoline-3-carboxylateethyl 4-oxo-6-(propan-2-yl)-1,4-dihydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 4-hydroxy-6-(1-methylethyl)-, ethyl esterethyl 4-hydroxy-6-isopropylquinoline-3-carboxylateethyl 4-hydroxy-6-(propan-2-yl)quinoline-3-carboxylateethyl 4-hydroxy-6-isopropyl-3-quinolinecarboxylateTBE6MC66VTOprea1_718373CHEMBL202969
Show more names
Ethyl 4-hydroxy-6-(1-methylethyl)-3-quinolinecarboxylate
SCHEMBL11065820SCHEMBL28287775HMS5089H17MFCD24862198STK040682AKOS005383459AKOS037647150AS-72591
Database identifiers
- CAS
64321-61-5- PubChem CID
- 690399
- ChEMBL
CHEMBL202969- UNII
- TBE6MC66VT
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 366.6 · 366.6±37.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- 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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