2-hydrazinyl-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-4-one

• ChemBase ID: 248283
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n1(c(nc2c(c1=O)cccc2)NN)CCCOC(C)C
• Canonical SMILES: NNc1nc2ccccc2c(=O)n1CCCOC(C)C
• InChI: InChI=1S/C14H20N4O2/c1-10(2)20-9-5-8-18-13(19)11-6-3-4-7-12(11)16-14(18)17-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,16,17)
• InChIKey: ZQRGYPIJZHGLHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-[3-(propan-2-yloxy)propyl]-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-hydrazinyl-3-(3-isopropoxypropyl)quinazolin-4-one
• Synonyms: 2-hydrazino-3-(3-isopropoxypropyl)quinazolin-4(3H)-one

Database IDs

• MDL Number: MFCD06655529
• PubChem SID: 164304193
• PubChem CID: 4962089

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.0073053
• LogD (pH = 7.4): 1.2711259
• Log P: 1.2754625
• Molar Refractivity: 91.1386 cm^3
• Polarizability: 29.294172 Å^3
• Polar Surface Area: 79.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.816

Product Information

• Purity: 95%