2-cyclopropyl-6-methylquinoline-4-carbohydrazide

• ChemBase ID: 27309
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: c1(c2c(nc(c1)C1CC1)ccc(c2)C)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cc(C)cc2)C1CC1
• InChI: InChI=1S/C14H15N3O/c1-8-2-5-12-10(6-8)11(14(18)17-15)7-13(16-12)9-3-4-9/h2,5-7,9H,3-4,15H2,1H3,(H,17,18)
• InChIKey: JKUVZRGYJKBAGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-6-methylquinoline-4-carbohydrazide
• IUPAC Traditional name: 2-cyclopropyl-6-methylquinoline-4-carbohydrazide
• Synonyms: 2-Cyclopropyl-6-methylquinoline-4-carbohydrazide

Database IDs

• MDL Number: MFCD03420432
• PubChem SID: 160990616
• PubChem CID: 25218968

CALCULATED PROPERTIES

• Acid pKa: 14.634875
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.1074193
• LogD (pH = 7.4): 2.1096246
• Log P: 2.1096528
• Molar Refractivity: 70.5737 cm^3
• Polarizability: 27.695454 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