4-Quinolineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester
Basic information
- CAS
4415-60-5- Standard SMILES
O=C(/C=C/c1ccnc2ccccc12)OCCN1CCN(c2ccc(Cl)cc2)CC1- InChIKey
WUCMLBDFUBJCTR-BJMVGYQFSA-N- Molecular formula
- C24H24ClN3O2
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1557047
Names & identifiers
- Preferred name
- 4-Quinolineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester
- IUPAC
- 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-quinolin-4-ylprop-2-enoate
Names & synonyms
4-Quinolineacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester4415-60-5RefChem:1071579BRN 05837671-Piperazineethanol, 4-(p-chlorophenyl)-, 4-quinolineacrylate2-Propenoic acid, 3-(4-quinolinyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
Database identifiers
- CAS
4415-60-5- PubChem CID
- 6444451
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 571
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Compound notes
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