propan-2-yl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetate

• ChemBase ID: 221605
• Molecular Formular: C15H18N2O5
• Molecular Mass: 306.31382
• Monoisotopic Mass: 306.12157169
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)OC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)OC(C)C
• InChI: InChI=1S/C15H18N2O5/c1-9(2)22-14(18)7-17-8-16-11-6-13(21-4)12(20-3)5-10(11)15(17)19/h5-6,8-9H,7H2,1-4H3
• InChIKey: GKJQQKLYFQXPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-(6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)acetate
• IUPAC Traditional name: isopropyl 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetate

Database IDs

• PubChem SID: 164277515
• PubChem CID: 29147797

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0298867
• LogD (pH = 7.4): 1.0303301
• Log P: 1.0303357
• Molar Refractivity: 80.7436 cm^3
• Polarizability: 30.077545 Å^3
• Polar Surface Area: 77.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds