Ethyl 4-(4-benzylpiperazin-1-yl)-6-chloro-8-methylquinoline-3-carboxylate
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Basic information
- CAS
457937-77-8- Standard SMILES
CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1N1CCN(Cc2ccccc2)CC1- InChIKey
ODERMLDHDHJZLH-UHFFFAOYSA-N- Molecular formula
- C24H26ClN3O2
- Average molar mass
- 423.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(4-benzylpiperazin-1-yl)-6-chloro-8-methylquinoline-3-carboxylate
- IUPAC
- ethyl 4-(4-benzylpiperazin-1-yl)-6-chloro-8-methylquinoline-3-carboxylate
- English name
- ethyl 4-(4-benzyl-1-piperazinyl)-6-chloro-8-methyl-3-quinolinecarboxylate
- Molecular formula
- C24H26ClN3O2
- Molecular weight
- 423.94
Names & synonyms
ethyl 4-(4-benzylpiperazin-1-yl)-6-chloro-8-methylquinoline-3-carboxylateethyl 4-(4-benzyl-1-piperazinyl)-6-chloro-8-methyl-3-quinolinecarboxylateOprea1_193339AP-906/41641255AKOS002242020457937-77-83-Quinolinecarboxylic acid, 6-chloro-8-methyl-4-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
Database identifiers
- CAS
457937-77-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 566 · 566.0±50.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 7.7 · 7.70±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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