8-methoxy-5-nitroquinoline

• ChemBase ID: 254494
• Molecular Formular: C10H8N2O3
• Molecular Mass: 204.18212
• Monoisotopic Mass: 204.05349213
• SMILES: [N+](=O)(c1c2c(nccc2)c(cc1)OC)[O-]
• Canonical SMILES: COc1ccc(c2c1nccc2)[N+](=O)[O-]
• InChI: InChI=1S/C10H8N2O3/c1-15-9-5-4-8(12(13)14)7-3-2-6-11-10(7)9/h2-6H,1H3
• InChIKey: TUICZSFZAWPHQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-nitroquinoline
• IUPAC Traditional name: 8-methoxy-5-nitroquinoline
• Synonyms: 8-methoxy-5-nitroquinoline

Database IDs

• MDL Number: MFCD00452519
• PubChem SID: 164310404
• PubChem CID: 811350

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9132116
• LogD (pH = 7.4): 1.9132134
• Log P: 1.9132134
• Molar Refractivity: 53.7672 cm^3
• Polarizability: 21.329939 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 2.187

Product Information

• Purity: 95%