2-(morpholin-4-yl)quinoline-3-carbaldehyde

• ChemBase ID: 232333
• Molecular Formular: C14H14N2O2
• Molecular Mass: 242.27316
• Monoisotopic Mass: 242.1055277
• SMILES: c1(nc2c(cc1C=O)cccc2)N1CCOCC1
• Canonical SMILES: O=Cc1cc2ccccc2nc1N1CCOCC1
• InChI: InChI=1S/C14H14N2O2/c17-10-12-9-11-3-1-2-4-13(11)15-14(12)16-5-7-18-8-6-16/h1-4,9-10H,5-8H2
• InChIKey: IUHXRNBITQBVAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)quinoline-3-carbaldehyde
• IUPAC Traditional name: 2-(morpholin-4-yl)quinoline-3-carbaldehyde
• Synonyms: 2-morpholin-4-ylquinoline-3-carbaldehyde; 2-Morpholin-4-yl-quinoline-3-carbaldehyde

Database IDs

• CAS Number: 326008-62-2
• MDL Number: MFCD03196071
• PubChem SID: 164288243
• PubChem CID: 802537

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.264583
• LogD (pH = 7.4): 2.3265517
• Log P: 2.3274038
• Molar Refractivity: 70.3799 cm^3
• Polarizability: 27.307085 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 2.323

Product Information

• Purity: 95%