4-formylphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

• ChemBase ID: 188812
• Molecular Formular: C24H17NO4
• Molecular Mass: 383.39608
• Monoisotopic Mass: 383.11575803
• SMILES: c1(C(=O)Oc2ccc(C=O)cc2)cc(nc2c1cccc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Oc1ccc(cc1)C=O
• InChI: InChI=1S/C24H17NO4/c1-28-18-12-8-17(9-13-18)23-14-21(20-4-2-3-5-22(20)25-23)24(27)29-19-10-6-16(15-26)7-11-19/h2-15H,1H3
• InChIKey: WHIJCZHWNUDAAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-formylphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
• IUPAC Traditional name: 4-formylphenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Database IDs

• PubChem SID: 164244722
• PubChem CID: 1338776

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.380029
• LogD (pH = 7.4): 5.38024
• Log P: 5.380243
• Molar Refractivity: 109.5936 cm^3
• Polarizability: 44.512432 Å^3
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds