Molecule ID: 93528

IUPAC Name: heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate

Description: The molecule is a member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8. It is an aromatic ether, an organochlorine compound, a member of quinolines and a carboxylic ester.

SMILES: CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12

SELFIES: [C][C][C][C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1]

InChI: InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 48.4 Ų
- LogP: 5.5