9,10-dimethoxy-2-(naphthalen-2-yloxy)-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one

• ChemBase ID: 210701
• Molecular Formular: C24H20N2O4
• Molecular Mass: 400.4266
• Monoisotopic Mass: 400.14230713
• SMILES: c12n(c(=O)nc(c1)Oc1cc3c(cc1)cccc3)CCc1c2cc(c(c1)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)CCn1c2cc(Oc2ccc3c(c2)cccc3)nc1=O
• InChI: InChI=1S/C24H20N2O4/c1-28-21-12-17-9-10-26-20(19(17)13-22(21)29-2)14-23(25-24(26)27)30-18-8-7-15-5-3-4-6-16(15)11-18/h3-8,11-14H,9-10H2,1-2H3
• InChIKey: HAOVDMOVKARGGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dimethoxy-2-(naphthalen-2-yloxy)-4H,6H,7H-pyrimido[4,3-a]isoquinolin-4-one
• IUPAC Traditional name: 9,10-dimethoxy-2-(naphthalen-2-yloxy)-6H,7H-pyrimido[4,3-a]isoquinolin-4-one

Database IDs

• PubChem SID: 164266611
• PubChem CID: 2161978

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5516655
• LogD (pH = 7.4): 3.5516655
• Log P: 3.5516655
• Molar Refractivity: 113.8169 cm^3
• Polarizability: 44.487225 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds