7-methoxy-4-(piperazin-1-yl)quinoline

• ChemBase ID: 813071
• Molecular Formular: C14H17N3O
• Molecular Mass: 243.30428
• Monoisotopic Mass: 243.13716218
• SMILES: c1(cc2c(cc1)c(ccn2)N1CCNCC1)OC
• Canonical SMILES: COc1ccc2c(c1)nccc2N1CCNCC1
• InChI: InChI=1S/C14H17N3O/c1-18-11-2-3-12-13(10-11)16-5-4-14(12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
• InChIKey: UROPJUHDMCQLHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-(piperazin-1-yl)quinoline
• IUPAC Traditional name: 7-methoxy-4-(piperazin-1-yl)quinoline
• Synonyms: 7-METHOXY-4-(PIPERAZIN-1-YL)QUINOLINE

Database IDs

• CAS Number: 4038-97-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7519195
• LogD (pH = 7.4): -0.7440162
• Log P: 1.5453447
• Molar Refractivity: 71.6265 cm^3
• Polarizability: 28.7832 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%