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

• ChemBase ID: 249140
• Molecular Formular: C12H16N4O2
• Molecular Mass: 248.28104
• Monoisotopic Mass: 248.12732577
• SMILES: n1(c(nc2c(c1=O)cccc2)NN)CCCOC
• Canonical SMILES: COCCCn1c(NN)nc2c(c1=O)cccc2
• InChI: InChI=1S/C12H16N4O2/c1-18-8-4-7-16-11(17)9-5-2-3-6-10(9)14-12(16)15-13/h2-3,5-6H,4,7-8,13H2,1H3,(H,14,15)
• InChIKey: GIJRZLARHAOMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06655616
• PubChem SID: 164305050
• PubChem CID: 4962185

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.19137327
• LogD (pH = 7.4): 0.4967892
• Log P: 0.50207955
• Molar Refractivity: 81.9712 cm^3
• Polarizability: 25.622828 Å^3
• Polar Surface Area: 79.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.978

Product Information

• Purity: 95%