2-phenylquinoline-7-carbaldehyde

• ChemBase ID: 289030
• Molecular Formular: C16H11NO
• Molecular Mass: 233.26464
• Monoisotopic Mass: 233.08406398
• SMILES: O=Cc1ccc2ccc(c3ccccc3)nc2c1
• Canonical SMILES: O=Cc1ccc2c(c1)nc(cc2)c1ccccc1
• InChI: InChI=1S/C16H11NO/c18-11-12-6-7-14-8-9-15(17-16(14)10-12)13-4-2-1-3-5-13/h1-11H
• InChIKey: GRFNOZJZUIOWTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylquinoline-7-carbaldehyde
• IUPAC Traditional name: 2-phenylquinoline-7-carbaldehyde
• Synonyms: 2-Phenylquinoline-7-carbaldehyde

Database IDs

• CAS Number: 867162-43-4
• MDL Number: MFCD12924846
• PubChem SID: 180674561
• PubChem CID: 46835546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8762798
• LogD (pH = 7.4): 3.876476
• Log P: 3.8764784
• Molar Refractivity: 71.3275 cm^3
• Polarizability: 29.986439 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%