4-hydrazinyl-2-(3-methoxyphenyl)quinazoline

• ChemBase ID: 58628
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1ccc2c(c1)c(nc(n2)c1cccc(c1)OC)NN
• Canonical SMILES: NNc1nc(nc2c1cccc2)c1cccc(c1)OC
• InChI: InChI=1S/C15H14N4O/c1-20-11-6-4-5-10(9-11)14-17-13-8-3-2-7-12(13)15(18-14)19-16/h2-9H,16H2,1H3,(H,17,18,19)
• InChIKey: GDRYGKCULUVAAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2-(3-methoxyphenyl)quinazoline
• IUPAC Traditional name: 4-hydrazinyl-2-(3-methoxyphenyl)quinazoline
• Synonyms: 4-Hydrazino-2-(3-methoxyphenyl)quinazoline

Database IDs

• MDL Number: MFCD15146547
• PubChem SID: 162063391
• PubChem CID: 46318404

CALCULATED PROPERTIES

• Acid pKa: 19.445477
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.1505659
• LogD (pH = 7.4): 3.5466883
• Log P: 3.555056
• Molar Refractivity: 90.695 cm^3
• Polarizability: 31.449211 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false