quinoline-5,8-diamine

• ChemBase ID: 121907
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c12c(nccc2)c(ccc1N)N
• Canonical SMILES: Nc1ccc(c2c1nccc2)N
• InChI: InChI=1S/C9H9N3/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,10-11H2
• InChIKey: JYFRBECAJLHOEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-5,8-diamine
• IUPAC Traditional name: quinoline-5,8-diamine
• Synonyms: quinoline-5,8-diamine

Database IDs

• PubChem SID: 162216260
• PubChem CID: 918947

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.3611142
• LogD (pH = 7.4): 0.47142658
• Log P: 0.47304857
• Molar Refractivity: 49.3801 cm^3
• Polarizability: 19.26357 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true