(2E)-6-chloro-2-hydrazinylidene-4-phenyl-1,2-dihydroquinolin-3-amine

• ChemBase ID: 159947
• Molecular Formular: C15H13ClN4
• Molecular Mass: 284.74352
• Monoisotopic Mass: 284.08287412
• SMILES: c1c(cc2c(c1)[nH]/c(=N/N)/c(c2c1ccccc1)N)Cl
• Canonical SMILES: N/N=c\1/[nH]c2ccc(cc2c(c1N)c1ccccc1)Cl
• InChI: InChI=1S/C15H13ClN4/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(17)15(19-12)20-18/h1-8H,17-18H2,(H,19,20)
• InChIKey: UVOZQOLICSPWHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-6-chloro-2-hydrazinylidene-4-phenyl-1,2-dihydroquinolin-3-amine
• IUPAC Traditional name: (2E)-6-chloro-2-hydrazinylidene-4-phenyl-1H-quinolin-3-amine
• Synonyms: 6-Chloro-2-hydrazinyl-4-phenyl-3-quinolinamine; 3-Amino-6-chloro-4-(4-pyridinyl)-2-quinolinone Hydrazone

Database IDs

• PubChem SID: 162254082
• PubChem CID: 71313180

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.9075489
• LogD (pH = 7.4): 2.452319
• Log P: 2.466566
• Molar Refractivity: 93.8028 cm^3
• Polarizability: 30.813372 Å^3
• Polar Surface Area: 76.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Solid

DETAILS

Toronto Research Chemicals - A603560

Intermediate in the preparation of Alprazolam impurities.