7-methoxy-8-nitroquinoline

• ChemBase ID: 173081
• Molecular Formular: C10H8N2O3
• Molecular Mass: 204.18212
• Monoisotopic Mass: 204.05349213
• SMILES: c1ccc2c(n1)c(c(cc2)OC)[N+](=O)[O-]
• Canonical SMILES: COc1ccc2c(c1[N+](=O)[O-])nccc2
• InChI: InChI=1S/C10H8N2O3/c1-15-8-5-4-7-3-2-6-11-9(7)10(8)12(13)14/h2-6H,1H3
• InChIKey: SJPSBGPTZVFQPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-8-nitroquinoline
• IUPAC Traditional name: 7-methoxy-8-nitroquinoline
• Synonyms: 7-Methoxy-8-nitroquinoline

Database IDs

• CAS Number: 83010-83-7
• PubChem SID: 164228991
• PubChem CID: 11206492

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9130248
• LogD (pH = 7.4): 1.913211
• Log P: 1.9132134
• Molar Refractivity: 53.7672 cm^3
• Polarizability: 21.327301 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Pale-Yellow Solid