Molecule ID: 87840

IUPAC Name: 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one

Description: The molecule is a quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively. It has a role as a plant metabolite. It is a furoquinoline, a quinoline alkaloid, an aromatic ether and an olefinic compound.

SMILES: COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1

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

InChI: InChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 42.7 Ų
- LogP: 4.0