1-{2-[5-(2-methoxyethoxy)-1H-1,3-benzodiazol-1-yl]quinolin-8-yl}piperidin-4-amine

• ChemBase ID: 312755
• Molecular Formular: C24H27N5O2
• Molecular Mass: 417.50348
• Monoisotopic Mass: 417.21647513
• SMILES: c1cc(c2c(c1)ccc(n2)n1c2ccc(cc2nc1)OCCOC)N1CCC(CC1)N
• Canonical SMILES: COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N
• InChI: InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3
• InChIKey: DEEOXSOLTLIWMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[5-(2-methoxyethoxy)-1H-1,3-benzodiazol-1-yl]quinolin-8-yl}piperidin-4-amine
• IUPAC Traditional name: 1-{2-[5-(2-methoxyethoxy)-1,3-benzodiazol-1-yl]quinolin-8-yl}piperidin-4-amine
• Synonyms: CP673451; CP 673451

Database IDs

• CAS Number: 343787-29-1

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.296099
• LogD (pH = 7.4): 0.5168768
• Log P: 3.0078256
• Molar Refractivity: 131.514 cm^3
• Polarizability: 48.93386 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base