3-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

• ChemBase ID: 222315
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: c12c(=O)n(cnc1cc(c(c2)OC)OC)CCC(=O)NCCCOC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CCC(=O)NCCCOC(C)C
• InChI: InChI=1S/C19H27N3O5/c1-13(2)27-9-5-7-20-18(23)6-8-22-12-21-15-11-17(26-4)16(25-3)10-14(15)19(22)24/h10-13H,5-9H2,1-4H3,(H,20,23)
• InChIKey: NTTOJFLAXDCZAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[3-(propan-2-yloxy)propyl]propanamide
• IUPAC Traditional name: 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-isopropoxypropyl)propanamide

Database IDs

• PubChem SID: 164278225
• PubChem CID: 39377934

CALCULATED PROPERTIES

• Acid pKa: 14.921387
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.5501586
• LogD (pH = 7.4): 0.55115926
• Log P: 0.551172
• Molar Refractivity: 103.3017 cm^3
• Polarizability: 38.55288 Å^3
• Polar Surface Area: 89.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds