4-Quinolinecarboxylic acid, 2-(1-methylethyl)-, 2-oxo-2-phenylethyl ester
Basic information
- CAS
879053-43-7- Standard SMILES
CC(C)c1cc(C(=O)OCC(=O)c2ccccc2)c2ccccc2n1- InChIKey
RTMJLZAYRQNWJN-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13649347
Names & identifiers
- Preferred name
- 4-Quinolinecarboxylic acid, 2-(1-methylethyl)-, 2-oxo-2-phenylethyl ester
- IUPAC
- phenacyl 2-propan-2-ylquinoline-4-carboxylate
Names & synonyms
879053-43-74-Quinolinecarboxylic acid, 2-(1-methylethyl)-, 2-oxo-2-phenylethyl esterDTXSID501185585AKOS000746345ST503183272-oxo-2-phenylethyl 2-(methylethyl)quinoline-4-carboxylate2-Oxo-2-phenylethyl 2-(1-methylethyl)-4-quinolinecarboxylate2-Oxo-2-phenylethyl 2-(propan-2-yl)quinoline-4-carboxylate
Database identifiers
- CAS
879053-43-7- PubChem CID
- 6499765
- DTXSID
DTXSID501185585
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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