1-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

• ChemBase ID: 185394
• Molecular Formular: C20H21NO5
• Molecular Mass: 355.38444
• Monoisotopic Mass: 355.14197278
• SMILES: C1(=NCCc2c1cc(c(c2)OC)OC)C(=O)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C(=O)C1=NCCc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C20H21NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-6,9-11H,7-8H2,1-4H3
• InChIKey: BSYFCWAPBDZVAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
• IUPAC Traditional name: 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Database IDs

• PubChem SID: 164241304
• PubChem CID: 1279125

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.8884509
• LogD (pH = 7.4): 2.8902447
• Log P: 2.8902676
• Molar Refractivity: 98.189 cm^3
• Polarizability: 37.3279 Å^3
• Polar Surface Area: 66.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds