Molecule ID: 442160

IUPAC Name: 12-ethenyl-2-hydroxy-3-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one

Description: The molecule is a member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and vinyl substituents at positions 2, 3 and 12 respectively. It has a role as a plant metabolite. It is an isoquinolinonaphthyridine, a benzopyridoquinolizidine derivative, an aromatic ether, a member of phenols, an olefinic compound and an isoquinoline alkaloid.

SMILES: C=Cc1cncc2c(=O)n3c(cc12)-c1cc(O)c(OC)cc1CC3

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

InChI: InChI=1S/C19H16N2O3/c1-3-11-9-20-10-15-13(11)7-16-14-8-17(22)18(24-2)6-12(14)4-5-21(16)19(15)23/h3,6-10,22H,1,4-5H2,2H3

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.5