4-Chlorobenzyl 3-methyl-2-phenyl-4-quinolinecarboxylate
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Basic information
- CAS
474106-98-4- Standard SMILES
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc(Cl)cc1- InChIKey
IQRBOCXPZXIKJG-UHFFFAOYSA-N- Molecular formula
- C24H18ClNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1026065
Names & identifiers
- Preferred name
- 4-Chlorobenzyl 3-methyl-2-phenyl-4-quinolinecarboxylate
- IUPAC
- (4-chlorophenyl)methyl 3-methyl-2-phenylquinoline-4-carboxylate
- English name
- 4-chlorobenzyl 3-methyl-2-phenyl-4-quinolinecarboxylate
- Molecular formula
- C24H18ClNO2
- Molecular weight
- 387.86
Names & synonyms
(4-chlorophenyl)methyl 3-methyl-2-phenylquinoline-4-carboxylate4-chlorobenzyl 3-methyl-2-phenyl-4-quinolinecarboxylateOprea1_306357STK327403AKOS003651241AK-918/421797304-chlorobenzyl 3-methyl-2-phenylquinoline-4-carboxylate4-Quinolinecarboxylic acid, 3-methyl-2-phenyl-, (4-chlorophenyl)methyl ester
Database identifiers
- CAS
474106-98-4- PubChem CID
- 7298194
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Boiling point
- 539.1 · 539.1±50.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.24(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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