2-ethoxy-6-nitroacridin-9-amine

• ChemBase ID: 121533
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: [N+](=O)(c1cc2nc3c(c(c2cc1)N)cc(cc3)OCC)[O-]
• Canonical SMILES: CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C15H13N3O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3,(H2,16,17)
• InChIKey: NDKYICANXPTKKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-6-nitroacridin-9-amine
• IUPAC Traditional name: 2-ethoxy-6-nitroacridin-9-amine
• Synonyms: 2-ethoxy-6-nitroacridin-9-amine

Database IDs

• PubChem SID: 162215886
• PubChem CID: 30102

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.383553
• LogD (pH = 7.4): 2.5874658
• Log P: 2.8164225
• Molar Refractivity: 79.2944 cm^3
• Polarizability: 31.80779 Å^3
• Polar Surface Area: 93.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true