6-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 285692
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: C(=O)(N1CCOCC1)c1cc2c(NCCC2)cc1
• Canonical SMILES: O=C(c1ccc2c(c1)CCCN2)N1CCOCC1
• InChI: InChI=1S/C14H18N2O2/c17-14(16-6-8-18-9-7-16)12-3-4-13-11(10-12)2-1-5-15-13/h3-4,10,15H,1-2,5-9H2
• InChIKey: AFRVMKRJPYCBLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-(morpholine-4-carbonyl)-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-[(morpholin-4-yl)carbonyl]-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD11180985
• PubChem SID: 180671223
• PubChem CID: 18367062

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99995136
• LogD (pH = 7.4): 1.0098455
• Log P: 1.009973
• Molar Refractivity: 72.1087 cm^3
• Polarizability: 26.351933 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142 - 144°C
• Hydrophobicity(logP): 1.366

Product Information

• Purity: 95%