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

• ChemBase ID: 227906
• Molecular Formular: C22H25N3O4
• Molecular Mass: 395.4516
• Monoisotopic Mass: 395.1845063
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)CCc1ccccc1)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)CCc1ccccc1)C
• InChI: InChI=1S/C22H25N3O4/c1-15-24-18-14-20(29-3)19(28-2)13-17(18)22(27)25(15)12-11-23-21(26)10-9-16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3,(H,23,26)
• InChIKey: QSNCPJCKFXKQLU-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-phenylpropanamide
• IUPAC Traditional name: N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenylpropanamide

Database IDs

• PubChem SID: 164283816
• PubChem CID: 71755025

CALCULATED PROPERTIES

• Acid pKa: 15.056358
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.9811296
• LogD (pH = 7.4): 1.9825275
• Log P: 1.9825453
• Molar Refractivity: 111.9295 cm^3
• Polarizability: 41.87988 Å^3
• Polar Surface Area: 80.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds