Basic information
- CAS
476689-77-7- Standard SMILES
O=C(O)[C@H]1C/C(=C2/CCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1- InChIKey
XDKRVNKVAKCFGW-WXWBBQJKSA-N- Molecular formula
- C20H17ClN2O3
- Average molar mass
- 368.8 g/mol
- Monoisotopic mass
- 368.0927701
Overview
GW-468816 is under investigation in clinical trial NCT00218465 (Effectiveness of GW468816, an NMDA Glycine Site Antagonist, for Prevention of Relapse to Smoking).
Names & identifiers
- Preferred name
- 2-Quinolinecarboxylic acid, 7-chloro-1,2,3,4-tetrahydro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-, (2R,4E)-
- IUPAC
- (2R,4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid
Names & synonyms
UNII-3WGI8FOO62GW-468816476689-77-73WGI8FOO622-Quinolinecarboxylic acid, 7-chloro-1,2,3,4-tetrahydro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-, (2R,4E)-orb1740269SCHEMBL4931386CHEMBL1206161DB15099(2R,4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acidT69211Q27258136
Show more names
(2R,4E)-7-Chloro-1,2,3,4-tetrahydro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-2-quinolinecarboxylic acid
Database identifiers
- CAS
476689-77-7、502641-02-3- PubChem CID
- 9907331
- DTXSID
DTXSID201053276- ChEMBL
CHEMBL1206161- UNII
- 3WGI8FOO62
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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