2-hydrazinyl-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 33925
• Molecular Formular: C15H14N4O2
• Molecular Mass: 282.29726
• Monoisotopic Mass: 282.11167571
• SMILES: n1(c(nc2c(c1=O)cccc2)NN)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1n1c(NN)nc2c(c1=O)cccc2
• InChI: InChI=1S/C15H14N4O2/c1-21-13-9-5-4-8-12(13)19-14(20)10-6-2-3-7-11(10)17-15(19)18-16/h2-9H,16H2,1H3,(H,17,18)
• InChIKey: KOHCQLVTSJJKOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-(2-methoxyphenyl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-hydrazinyl-3-(2-methoxyphenyl)quinazolin-4-one
• Synonyms: 2-Hydrazino-3-(2-methoxyphenyl)quinazolin-4(3H)-one

Database IDs

• MDL Number: MFCD09454876
• PubChem SID: 160997232
• PubChem CID: 15562164

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8847741
• LogD (pH = 7.4): 1.9879279
• Log P: 1.9893825
• Molar Refractivity: 92.3031 cm^3
• Polarizability: 29.833303 Å^3
• Polar Surface Area: 79.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false