4-methoxy-8-nitroquinoline

• ChemBase ID: 246528
• Molecular Formular: C10H8N2O3
• Molecular Mass: 204.18212
• Monoisotopic Mass: 204.05349213
• SMILES: [N+](=O)(c1c2c(c(ccn2)OC)ccc1)[O-]
• Canonical SMILES: COc1ccnc2c1cccc2[N+](=O)[O-]
• InChI: InChI=1S/C10H8N2O3/c1-15-9-5-6-11-10-7(9)3-2-4-8(10)12(13)14/h2-6H,1H3
• InChIKey: FVNHDPDHZDTVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-8-nitroquinoline
• IUPAC Traditional name: 4-meo-8-NO2 quinoline
• Synonyms: 4-methoxy-8-nitroquinoline

Database IDs

• MDL Number: MFCD00454424
• PubChem SID: 164302438
• PubChem CID: 23274010

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9119786
• LogD (pH = 7.4): 1.9131979
• Log P: 1.9132134
• Molar Refractivity: 53.7672 cm^3
• Polarizability: 21.32656 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.278

Product Information

• Purity: 95%