[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
Basic information
- CAS
6554-95-6- Standard SMILES
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12- InChIKey
DXEPXCUKAUZLHW-UHFFFAOYSA-N- Molecular formula
- C27H20Cl3N3O5
- Average molar mass
- 572.8 g/mol
- Monoisotopic mass
- 571.046854
Names & identifiers
- Preferred name
- [2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
- IUPAC
- [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
Names & synonyms
MLS000536078[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate6554-95-6SMR000155390Oprea1_141978MLS001332715CHEMBL1492553BDBM41034cid_2334575DTXSID10368148HMS2386K10AKOS007949635
Show more names
Z18815312T0505-66712-(2,3,4-trichlorophenyl)cinchoninic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxylate2-(2,3,4-trichlorophenyl)-4-quinolinecarboxylic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester2-[4-(FURAN-2-CARBONYL)PIPERAZIN-1-YL]-2-OXOETHYL 2-(2,3,4-TRICHLOROPHENYL)QUINOLINE-4-CARBOXYLATE
Database identifiers
- CAS
6554-95-6- PubChem CID
- 2334575
- DTXSID
DTXSID10368148- ChEMBL
CHEMBL1492553
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 873
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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