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

• ChemBase ID: 248285
• Molecular Formular: C13H18N4O2
• Molecular Mass: 262.30762
• Monoisotopic Mass: 262.14297584
• SMILES: n1(c(nc2c(c1=O)cccc2)NN)CCCOCC
• Canonical SMILES: CCOCCCn1c(NN)nc2c(c1=O)cccc2
• InChI: InChI=1S/C13H18N4O2/c1-2-19-9-5-8-17-12(18)10-6-3-4-7-11(10)15-13(17)16-14/h3-4,6-7H,2,5,8-9,14H2,1H3,(H,15,16)
• InChIKey: OXCPMKWHHVJZSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-ethoxypropyl)-2-hydrazinyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 3-(3-ethoxypropyl)-2-hydrazinylquinazolin-4-one
• Synonyms: 3-(3-ethoxypropyl)-2-hydrazinoquinazolin-4(3H)-one

Database IDs

• MDL Number: MFCD06655530
• PubChem SID: 164304195
• PubChem CID: 4962090

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.5719533
• LogD (pH = 7.4): 0.8541421
• Log P: 0.85888755
• Molar Refractivity: 86.7198 cm^3
• Polarizability: 27.457851 Å^3
• Polar Surface Area: 79.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.507

Product Information

• Purity: 95%