2-hydrazinyl-6,7-dimethoxy-3-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 28488
• Molecular Formular: C11H14N4O3
• Molecular Mass: 250.25386
• Monoisotopic Mass: 250.10659033
• SMILES: n1(c(=O)c2c(nc1NN)cc(c(c2)OC)OC)C
• Canonical SMILES: COc1cc2nc(NN)n(c(=O)c2cc1OC)C
• InChI: InChI=1S/C11H14N4O3/c1-15-10(16)6-4-8(17-2)9(18-3)5-7(6)13-11(15)14-12/h4-5H,12H2,1-3H3,(H,13,14)
• InChIKey: TZSFBXBXSAPOSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-6,7-dimethoxy-3-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-hydrazinyl-6,7-dimethoxy-3-methylquinazolin-4-one
• Synonyms: 2-Hydrazino-6,7-dimethoxy-3-methylquinazolin-4(3H)-one

Database IDs

• MDL Number: MFCD09455468
• PubChem SID: 160991795
• PubChem CID: 17221394

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.04105124
• LogD (pH = 7.4): 0.17187423
• Log P: 0.17375281
• Molar Refractivity: 78.9887 cm^3
• Polarizability: 24.491209 Å^3
• Polar Surface Area: 89.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false