2-methoxyphenyl 2-phenylquinoline-4-carboxylate

• ChemBase ID: 179827
• Molecular Formular: C23H17NO3
• Molecular Mass: 355.38598
• Monoisotopic Mass: 355.12084341
• SMILES: c1(C(=O)Oc2c(OC)cccc2)cc(nc2c1cccc2)c1ccccc1
• Canonical SMILES: COc1ccccc1OC(=O)c1cc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C23H17NO3/c1-26-21-13-7-8-14-22(21)27-23(25)18-15-20(16-9-3-2-4-10-16)24-19-12-6-5-11-17(18)19/h2-15H,1H3
• InChIKey: YNIRXOGPTRXJPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyphenyl 2-phenylquinoline-4-carboxylate
• IUPAC Traditional name: 2-methoxyphenyl 2-phenylquinoline-4-carboxylate
• Synonyms: Guaiacol cinchophenate

Database IDs

• CAS Number: 60883-69-4
• PubChem SID: 164235737
• PubChem CID: 1128700

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.667575
• LogD (pH = 7.4): 5.6677384
• Log P: 5.6677403
• Molar Refractivity: 103.0096 cm^3
• Polarizability: 42.675037 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Application(s): Bronchotherapeutic