Molecule ID: 9995890

IUPAC Name: 2-[2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol

Description: The molecule is a pyrazoloquinoline that is 6-methoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4 It has a role as an antineoplastic agent. It is a pyrazoloquinoline, an aromatic ether, an aromatic amine, a secondary amino compound and a primary alcohol.

SMILES: COc1ccc2nc3[nH][nH]c(C)c-3c(=NCCOCCO)c2c1

SELFIES: [C][O][C][=C][C][=C][N][=C][NH1][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][Branch2][=N][C][C][O][C][C][O][C][Ring1][P][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C16H20N4O3/c1-10-14-15(17-5-7-23-8-6-21)12-9-11(22-2)3-4-13(12)18-16(14)20-19-10/h3-4,9,21H,5-8H2,1-2H3,(H2,17,18,19,20)

Molecular Properties:
- Polar Surface Area: 92.3 Ų
- LogP: 1.7