2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[3-(dimethylamino)propyl]acetamide

• ChemBase ID: 226464
• Molecular Formular: C18H26N4O4
• Molecular Mass: 362.42344
• Monoisotopic Mass: 362.19540533
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCCN(C)C
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCCN(C)C)C
• InChI: InChI=1S/C18H26N4O4/c1-12-20-14-10-16(26-5)15(25-4)9-13(14)18(24)22(12)11-17(23)19-7-6-8-21(2)3/h9-10H,6-8,11H2,1-5H3,(H,19,23)
• InChIKey: JGIFMPWJJGWQDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6,7-dimethoxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[3-(dimethylamino)propyl]acetamide
• IUPAC Traditional name: 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[3-(dimethylamino)propyl]acetamide

Database IDs

• PubChem SID: 164282374
• PubChem CID: 71753629

CALCULATED PROPERTIES

• Acid pKa: 14.798053
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.6694927
• LogD (pH = 7.4): -2.2375674
• Log P: -0.34490493
• Molar Refractivity: 100.901 cm^3
• Polarizability: 37.52451 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds