Molecule ID: 16016585

IUPAC Name: N-(2-methylquinolin-8-yl)-4-propan-2-yloxybenzamide

Description: The molecule is a secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). It has a role as a SERCA activator. It is a member of quinolines, a secondary carboxamide and an aromatic ether.

SMILES: Cc1ccc2cccc(NC(=O)c3ccc(OC(C)C)cc3)c2n1

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

InChI: InChI=1S/C20H20N2O2/c1-13(2)24-17-11-9-16(10-12-17)20(23)22-18-6-4-5-15-8-7-14(3)21-19(15)18/h4-13H,1-3H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 51.2 Ų
- LogP: 4.2