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

• ChemBase ID: 226093
• Molecular Formular: C19H26N4O5
• Molecular Mass: 390.43354
• Monoisotopic Mass: 390.19031995
• SMILES: n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)CC(=O)NCCN1CCOCC1
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CC(=O)NCCN1CCOCC1)C
• InChI: InChI=1S/C19H26N4O5/c1-13-21-15-11-17(27-3)16(26-2)10-14(15)19(25)23(13)12-18(24)20-4-5-22-6-8-28-9-7-22/h10-11H,4-9,12H2,1-3H3,(H,20,24)
• InChIKey: IUKGUBQGKQNROB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282003
• PubChem CID: 71692072

CALCULATED PROPERTIES

• Acid pKa: 14.676427
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.3875468
• LogD (pH = 7.4): -0.6488942
• Log P: -0.6233651
• Molar Refractivity: 105.1101 cm^3
• Polarizability: 39.367046 Å^3
• Polar Surface Area: 92.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds