2-methoxy-N-{2-[(4-oxo-3,4-dihydroquinazolin-2-yl)formamido]ethyl}acetamide

• ChemBase ID: 223590
• Molecular Formular: C14H16N4O4
• Molecular Mass: 304.30124
• Monoisotopic Mass: 304.11715501
• SMILES: c1([nH]c(=O)c2c(n1)cccc2)C(=O)NCCNC(=O)COC
• Canonical SMILES: COCC(=O)NCCNC(=O)c1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C14H16N4O4/c1-22-8-11(19)15-6-7-16-14(21)12-17-10-5-3-2-4-9(10)13(20)18-12/h2-5H,6-8H2,1H3,(H,15,19)(H,16,21)(H,17,18,20)
• InChIKey: YZXZDTBFYATYLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{2-[(4-oxo-3,4-dihydroquinazolin-2-yl)formamido]ethyl}acetamide
• IUPAC Traditional name: 2-methoxy-N-{2-[(4-oxo-3H-quinazolin-2-yl)formamido]ethyl}acetamide

Database IDs

• PubChem SID: 164279500
• PubChem CID: 30340369

CALCULATED PROPERTIES

• Acid pKa: 7.7948313
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.004438
• LogD (pH = 7.4): -1.1300014
• Log P: -1.0024906
• Molar Refractivity: 79.7507 cm^3
• Polarizability: 29.252337 Å^3
• Polar Surface Area: 108.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds