Molecule ID: 442157

IUPAC Name: 2-hydroxy-12-[(1R)-1-hydroxyethyl]-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 1-hydroxyethyl substituents at positions 2, 3 and 12. It is an isoquinolinonaphthyridine, a benzopyridoquinolizidine derivative, an alkaloid, an aromatic ether, a secondary alcohol and a member of phenols.

SMILES: COc1cc2c(cc1O)-c1cc3c([C@@H](C)O)cncc3c(=O)n1CC2

SELFIES: [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=N][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][=C][C][C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C19H18N2O4/c1-10(22)14-8-20-9-15-13(14)6-16-12-7-17(23)18(25-2)5-11(12)3-4-21(16)19(15)24/h5-10,22-23H,3-4H2,1-2H3/t10-/m1/s1

Molecular Properties:
- Polar Surface Area: 82.9 Ų
- LogP: 1.2