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

• ChemBase ID: 221840
• Molecular Formular: C17H24N4O4
• Molecular Mass: 348.39686
• Monoisotopic Mass: 348.17975527
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCCCN(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCCCN(C)C
• InChI: InChI=1S/C17H24N4O4/c1-20(2)7-5-6-18-16(22)10-21-11-19-13-9-15(25-4)14(24-3)8-12(13)17(21)23/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)
• InChIKey: HGIZKSQINVIUPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277750
• PubChem CID: 29148405

CALCULATED PROPERTIES

• Acid pKa: 14.733355
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.7179692
• LogD (pH = 7.4): -2.2862635
• Log P: -0.39360365
• Molar Refractivity: 96.4105 cm^3
• Polarizability: 35.69153 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