N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

• ChemBase ID: 227924
• Molecular Formular: C23H27N3O5
• Molecular Mass: 425.47758
• Monoisotopic Mass: 425.19507098
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)CCc1ccc(cc1)OC)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1ccc(cc1)CCC(=O)NCCn1c(C)nc2c(c1=O)cc(c(c2)OC)OC
• InChI: InChI=1S/C23H27N3O5/c1-15-25-19-14-21(31-4)20(30-3)13-18(19)23(28)26(15)12-11-24-22(27)10-7-16-5-8-17(29-2)9-6-16/h5-6,8-9,13-14H,7,10-12H2,1-4H3,(H,24,27)
• InChIKey: FHQWJSBMHJOMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
• IUPAC Traditional name: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

Database IDs

• PubChem SID: 164283834
• PubChem CID: 71755043

CALCULATED PROPERTIES

• Acid pKa: 14.959383
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8234584
• LogD (pH = 7.4): 1.8248562
• Log P: 1.824874
• Molar Refractivity: 118.3927 cm^3
• Polarizability: 44.412292 Å^3
• Polar Surface Area: 89.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds