2-ethyl-6-nitroquinolin-4-amine

• ChemBase ID: 247893
• Molecular Formular: C11H11N3O2
• Molecular Mass: 217.22394
• Monoisotopic Mass: 217.08512661
• SMILES: [N+](=O)(c1cc2c(nc(cc2N)CC)cc1)[O-]
• Canonical SMILES: CCc1cc(N)c2c(n1)ccc(c2)[N+](=O)[O-]
• InChI: InChI=1S/C11H11N3O2/c1-2-7-5-10(12)9-6-8(14(15)16)3-4-11(9)13-7/h3-6H,2H2,1H3,(H2,12,13)
• InChIKey: ZPLJJBCBWSWICA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-nitroquinolin-4-amine
• IUPAC Traditional name: 2-ethyl-6-nitroquinolin-4-amine
• Synonyms: 2-ethyl-6-nitroquinolin-4-amine

Database IDs

• PubChem SID: 164303803
• PubChem CID: 60171279

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.31039768
• LogD (pH = 7.4): 1.195745
• Log P: 2.0738647
• Molar Refractivity: 61.2228 cm^3
• Polarizability: 23.534113 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.671

Product Information

• Purity: 95%