2-(4-ethylphenyl)-6-methylquinoline-4-carbohydrazide

• ChemBase ID: 27302
• Molecular Formular: C19H19N3O
• Molecular Mass: 305.37366
• Monoisotopic Mass: 305.15281224
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)CC)ccc(c2)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)CC
• InChI: InChI=1S/C19H19N3O/c1-3-13-5-7-14(8-6-13)18-11-16(19(23)22-20)15-10-12(2)4-9-17(15)21-18/h4-11H,3,20H2,1-2H3,(H,22,23)
• InChIKey: JUERZKUNGIXAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenyl)-6-methylquinoline-4-carbohydrazide
• IUPAC Traditional name: 2-(4-ethylphenyl)-6-methylquinoline-4-carbohydrazide
• Synonyms: 2-(4-Ethylphenyl)-6-methylquinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD03420395
• PubChem SID: 160990609
• PubChem CID: 3263268

CALCULATED PROPERTIES

• Acid pKa: 14.85386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.1885467
• LogD (pH = 7.4): 4.1895394
• Log P: 4.1895523
• Molar Refractivity: 92.9894 cm^3
• Polarizability: 37.636543 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false