(5S)-1-hydroxy-4-methoxy-3-methyl-5-octyl-6,7-dihydro-5H-isoquinolin-8-one

AlkaPlorer ID: AK073304

Synonym: None

IUPAC Name: (5S)-4-methoxy-3-methyl-5-octyl-2,5,6,7-tetrahydroisoquinoline-1,8-dione

Structure

SMILES: CCCCCCCC[C@H]1CCC(=O)C2=C(O)N=C(C)C(OC)=C21

copy

InChI: InChI=1S/C19H29NO3/c1-4-5-6-7-8-9-10-14-11-12-15(21)17-16(14)18(23-3)13(2)20-19(17)22/h14H,4-12H2,1-3H3,(H,20,22)/t14-/m0/s1

copy

InChIKey: SQHHGSWNKZJRQQ-AWEZNQCLSA-N

copy

Source

Properties Information

Molecule Weight: 319.44500000000005

TPSA: 59.42

MolLogP: 4.914920000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information