2,6-dimethyl-5-nitroquinoline

• ChemBase ID: 120489
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: [N+](=O)(c1c2c(nc(cc2)C)ccc1C)[O-]
• Canonical SMILES: Cc1ccc2c(n1)ccc(c2[N+](=O)[O-])C
• InChI: InChI=1S/C11H10N2O2/c1-7-3-6-10-9(11(7)13(14)15)5-4-8(2)12-10/h3-6H,1-2H3
• InChIKey: ZWAMWICAXFZCII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-5-nitroquinoline
• IUPAC Traditional name: 2,6-dimethyl-5-nitroquinoline
• Synonyms: 2,6-dimethyl-5-nitroquinoline

Database IDs

• PubChem SID: 162214842
• PubChem CID: 766565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.714974
• LogD (pH = 7.4): 2.7156675
• Log P: 2.7156763
• Molar Refractivity: 56.9367 cm^3
• Polarizability: 22.333048 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true