GW 468816
(4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid
Molecular Identity
GW 468816
(4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid
PubChem CID: 10303232
2D Structure
Properties
C20H17ClN2O3
Molecular Formula
368.80
Molecular Weight
g/mol
368.0928
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
69.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
614
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(C(=O)C1=C2CC(NC3=C2C=CC(=C3)Cl)C(=O)O)C4=CC=CC=C4Isomeric SMILES
SMILES: C\1CN(C(=O)/C1=C/2\CC(NC3=C2C=CC(=C3)Cl)C(=O)O)C4=CC=CC=C4Synonyms(10)
GW468816DTXSID201053276GW 468816RefChem:144809502641-02-3(4e)-7-chloro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acidSCHEMBL5750612CHEMBL1207366SCHEMBL29457696(4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid
Data from PubChem (NCBI)
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Drug Network
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