4-hydrazinyl-2-methylquinoline

• ChemBase ID: 79396
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1c(cc(c2c1cccc2)NN)C
• Canonical SMILES: NNc1cc(C)nc2c1cccc2
• InChI: InChI=1S/C10H11N3/c1-7-6-10(13-11)8-4-2-3-5-9(8)12-7/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: LYPXSDQQZREXLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2-methylquinoline
• IUPAC Traditional name: 4-hydrazinyl-2-methylquinoline
• Synonyms: 1-(2-methyl-4-quinolyl)hydrazine

Database IDs

• MDL Number: MFCD00272482
• PubChem SID: 162044159
• PubChem CID: 2063388

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.37334603
• LogD (pH = 7.4): 1.5355505
• Log P: 1.6539133
• Molar Refractivity: 54.2775 cm^3
• Polarizability: 21.323586 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true