2-hydrazinyl-7-methoxy-4-phenylquinoline

• ChemBase ID: 257786
• Molecular Formular: C16H15N3O
• Molecular Mass: 265.3098
• Monoisotopic Mass: 265.12151212
• SMILES: c12nc(cc(c1ccc(c2)OC)c1ccccc1)NN
• Canonical SMILES: NNc1nc2cc(OC)ccc2c(c1)c1ccccc1
• InChI: InChI=1S/C16H15N3O/c1-20-12-7-8-13-14(11-5-3-2-4-6-11)10-16(19-17)18-15(13)9-12/h2-10H,17H2,1H3,(H,18,19)
• InChIKey: URNRQMRJRMCTKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-7-methoxy-4-phenylquinoline
• IUPAC Traditional name: 2-hydrazinyl-7-methoxy-4-phenylquinoline
• Synonyms: 2-hydrazino-7-methoxy-4-phenylquinoline

Database IDs

• MDL Number: MFCD09044131
• PubChem SID: 164313696
• PubChem CID: 16771820

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8171996
• LogD (pH = 7.4): 2.7891614
• Log P: 3.6065547
• Molar Refractivity: 81.5989 cm^3
• Polarizability: 33.095932 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 4.282

Product Information

• Purity: 95%