6-methyl-2-(4-methylphenyl)quinoline-4-carbohydrazide

• ChemBase ID: 27301
• Molecular Formular: C18H17N3O
• Molecular Mass: 291.34708
• Monoisotopic Mass: 291.13716218
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)C)ccc(c2)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)C
• InChI: InChI=1S/C18H17N3O/c1-11-3-6-13(7-4-11)17-10-15(18(22)21-19)14-9-12(2)5-8-16(14)20-17/h3-10H,19H2,1-2H3,(H,21,22)
• InChIKey: DUFPPBUXIJYYMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(4-methylphenyl)quinoline-4-carbohydrazide
• IUPAC Traditional name: 6-methyl-2-(4-methylphenyl)quinoline-4-carbohydrazide
• Synonyms: 6-Methyl-2-(4-methylphenyl)quinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD03420391
• PubChem SID: 160990608
• PubChem CID: 4635486

CALCULATED PROPERTIES

• Acid pKa: 14.85413
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.7439752
• LogD (pH = 7.4): 3.7449708
• Log P: 3.7449834
• Molar Refractivity: 88.3884 cm^3
• Polarizability: 35.79028 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false