4-chloro-7-methoxy-3-nitroquinoline

• ChemBase ID: 248382
• Molecular Formular: C10H7ClN2O3
• Molecular Mass: 238.62718
• Monoisotopic Mass: 238.01451977
• SMILES: c1([N+](=O)[O-])c(c2c(nc1)cc(cc2)OC)Cl
• Canonical SMILES: COc1ccc2c(c1)ncc(c2Cl)[N+](=O)[O-]
• InChI: InChI=1S/C10H7ClN2O3/c1-16-6-2-3-7-8(4-6)12-5-9(10(7)11)13(14)15/h2-5H,1H3
• InChIKey: HOCSOOBRPRKXSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-methoxy-3-nitroquinoline
• IUPAC Traditional name: 4-chloro-7-methoxy-3-nitroquinoline
• Synonyms: 4-chloro-7-methoxy-3-nitroquinoline

Database IDs

• MDL Number: MFCD17170303
• PubChem SID: 164304292
• PubChem CID: 10799989

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5172553
• LogD (pH = 7.4): 2.517258
• Log P: 2.5172582
• Molar Refractivity: 58.572 cm^3
• Polarizability: 23.265865 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.751

Product Information

• Purity: null%