2-cyclopropylquinoline-4-carbohydrazide

• ChemBase ID: 27222
• Molecular Formular: C13H13N3O
• Molecular Mass: 227.26182
• Monoisotopic Mass: 227.10586205
• SMILES: c1(cc(nc2c1cccc2)C1CC1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc(nc2c1cccc2)C1CC1
• InChI: InChI=1S/C13H13N3O/c14-16-13(17)10-7-12(8-5-6-8)15-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6,14H2,(H,16,17)
• InChIKey: LOSFWVILZWCLLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylquinoline-4-carbohydrazide
• IUPAC Traditional name: 2-cyclopropylquinoline-4-carbohydrazide
• Synonyms: 2-Cyclopropylquinoline-4-carbohydrazide

Database IDs

• CAS Number: 119778-68-6
• MDL Number: MFCD00178250
• PubChem SID: 160990529
• PubChem CID: 4339462

CALCULATED PROPERTIES

• Acid pKa: 14.508267
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5943592
• LogD (pH = 7.4): 1.5962079
• Log P: 1.5962315
• Molar Refractivity: 65.5325 cm^3
• Polarizability: 25.930775 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