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

• ChemBase ID: 231407
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: c1(nc2c(cc1C=O)ccc(c2)C)N1CCOCC1
• Canonical SMILES: O=Cc1cc2ccc(cc2nc1N1CCOCC1)C
• InChI: InChI=1S/C15H16N2O2/c1-11-2-3-12-9-13(10-18)15(16-14(12)8-11)17-4-6-19-7-5-17/h2-3,8-10H,4-7H2,1H3
• InChIKey: CRXORMWUIJFHDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(morpholin-4-yl)quinoline-3-carbaldehyde
• IUPAC Traditional name: 7-methyl-2-(morpholin-4-yl)quinoline-3-carbaldehyde
• Synonyms: 7-methyl-2-morpholin-4-ylquinoline-3-carbaldehyde; 7-Methyl-2-morpholin-4-yl-quinoline-3-carbaldehyde

Database IDs

• CAS Number: 400067-02-9
• MDL Number: MFCD02598571
• PubChem SID: 164287317
• PubChem CID: 801883

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7014253
• LogD (pH = 7.4): 2.8387496
• Log P: 2.840825
• Molar Refractivity: 75.4211 cm^3
• Polarizability: 29.071135 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.822

Product Information

• Purity: 95%