2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5-methoxy-1-methyl-1,4-dihydropyridin-4-one

• ChemBase ID: 226703
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: c1(C(=O)N2Cc3c(cc(c(c3)OC)OC)CC2)cc(=O)c(cn1C)OC
• Canonical SMILES: COc1cc2CN(CCc2cc1OC)C(=O)c1cc(=O)c(cn1C)OC
• InChI: InChI=1S/C19H22N2O5/c1-20-11-18(26-4)15(22)9-14(20)19(23)21-6-5-12-7-16(24-2)17(25-3)8-13(12)10-21/h7-9,11H,5-6,10H2,1-4H3
• InChIKey: UJNZSMNRFDKELS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-5-methoxy-1-methyl-1,4-dihydropyridin-4-one
• IUPAC Traditional name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-methoxy-1-methylpyridin-4-one

Database IDs

• PubChem SID: 164282613
• PubChem CID: 71753857

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.2398314
• LogD (pH = 7.4): 1.2398574
• Log P: 1.2398578
• Molar Refractivity: 99.3992 cm^3
• Polarizability: 36.822735 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds