6-(8-methoxy-2-methylquinolin-5-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

• ChemBase ID: 498118
• Molecular Formular: C19H15N3O3
• Molecular Mass: 333.3407
• Monoisotopic Mass: 333.11134136
• SMILES: [nH]1c(=O)c2c([nH]c1=O)ccc(c1c3c(nc(cc3)C)c(cc1)OC)c2
• Canonical SMILES: COc1ccc(c2c1nc(C)cc2)c1ccc2c(c1)c(=O)[nH]c(=O)[nH]2
• InChI: InChI=1S/C19H15N3O3/c1-10-3-5-13-12(6-8-16(25-2)17(13)20-10)11-4-7-15-14(9-11)18(23)22-19(24)21-15/h3-9H,1-2H3,(H2,21,22,23,24)
• InChIKey: COANFZXIMLOIMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(8-methoxy-2-methylquinolin-5-yl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• IUPAC Traditional name: 6-(8-methoxy-2-methylquinolin-5-yl)-1,3-dihydroquinazoline-2,4-dione
• Synonyms: 6-(8-methoxy-2-methylquinolin-5-yl)quinazoline-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.600226
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.1726353
• LogD (pH = 7.4): 3.1727927
• Log P: 3.1755264
• Molar Refractivity: 93.8883 cm^3
• Polarizability: 37.319134 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.11
• LOG S: -4.28
• Polar Surface Area: 87.84 Å^2
• Rotatable Bonds: 2