6-hydroxy-1-(4-methoxyphenyl)-3-methyl-5-{2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 214338
• Molecular Formular: C24H24N4O4
• Molecular Mass: 432.47176
• Monoisotopic Mass: 432.17975527
• SMILES: c1(c(n(c(=O)n(c1=O)C)c1ccc(cc1)OC)O)C1c2c(c3c([nH]2)cccc3)CCN1C
• Canonical SMILES: COc1ccc(cc1)n1c(O)c(c(=O)n(c1=O)C)C1N(C)CCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C24H24N4O4/c1-26-13-12-17-16-6-4-5-7-18(16)25-20(17)21(26)19-22(29)27(2)24(31)28(23(19)30)14-8-10-15(32-3)11-9-14/h4-11,21,25,30H,12-13H2,1-3H3
• InChIKey: RPKDXDNXMALHIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydroxy-1-(4-methoxyphenyl)-3-methyl-5-{2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-hydroxy-1-(4-methoxyphenyl)-3-methyl-5-{2-methyl-1H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164270248
• PubChem CID: 4869853

CALCULATED PROPERTIES

• Acid pKa: 7.7601714
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.248915
• LogD (pH = 7.4): 2.69374
• Log P: 2.7581618
• Molar Refractivity: 129.697 cm^3
• Polarizability: 46.977848 Å^3
• Polar Surface Area: 89.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds