Molecule ID: 23582824

IUPAC Name: (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Description: The molecule is a thiazolidinone that is the 5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene} derivative of 1,3-thiazolidine-2,4-dione. A PI3K inhibitor It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an antineoplastic agent. It is a member of quinolines, a member of pyridines and a thiazolidinone.

SMILES: O=C1N=C(O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1

SELFIES: [O][=C][N][=C][Branch1][C][O][/C][=Branch2][Ring1][#Branch2][=C][/C][=C][C][=C][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Ring1][S][S][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-

Molecular Properties:
- Polar Surface Area: 97.2 Ų
- LogP: 3.0