Molecule ID: 4612

IUPAC Name: [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol

Description: The molecule is a member of the class of quinolines that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 6, and 7 by (isopropylamino)methyl, hydroxymethyl, and nitro groups, respectively. It is a member of quinolines, a C-nitro compound, a secondary amino compound and an aromatic primary alcohol.

SMILES: CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1

SELFIES: [C][C][Branch1][C][C][N][C][C][C][C][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][N][Ring1][#C]

InChI: InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 90.1 Ų
- LogP: 2.2