2-(4-propoxyphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 27242
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)OCCC)C(=O)NN
• Canonical SMILES: CCCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NN
• InChI: InChI=1S/C19H19N3O2/c1-2-11-24-14-9-7-13(8-10-14)18-12-16(19(23)22-20)15-5-3-4-6-17(15)21-18/h3-10,12H,2,11,20H2,1H3,(H,22,23)
• InChIKey: DAPHACXGTRCJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-propoxyphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(4-propoxyphenyl)quinoline-4-carbohydrazide
• Synonyms: 2-(4-Propoxyphenyl)quinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD02375215
• PubChem SID: 160990549
• PubChem CID: 1978690

CALCULATED PROPERTIES

• Acid pKa: 14.7412195
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.4388433
• LogD (pH = 7.4): 3.4397879
• Log P: 3.4397998
• Molar Refractivity: 94.0418 cm^3
• Polarizability: 38.420635 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false