6,7-diethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

• ChemBase ID: 225498
• Molecular Formular: C22H26N2O5
• Molecular Mass: 398.45224
• Monoisotopic Mass: 398.18417194
• SMILES: c12c(cc(c(c2)OCC)OCC)nccc1Nc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: CCOc1cc2c(ccnc2cc1OCC)Nc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C22H26N2O5/c1-6-28-18-12-15-16(8-9-23-17(15)13-19(18)29-7-2)24-14-10-20(25-3)22(27-5)21(11-14)26-4/h8-13H,6-7H2,1-5H3,(H,23,24)
• InChIKey: BUEYVAWGJRYUHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-diethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
• IUPAC Traditional name: 6,7-diethoxy-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine

Database IDs

• PubChem SID: 164281408
• PubChem CID: 50877971

CALCULATED PROPERTIES

• Acid pKa: 19.636204
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.1927478
• LogD (pH = 7.4): 2.9644308
• Log P: 3.496086
• Molar Refractivity: 110.2787 cm^3
• Polarizability: 43.93695 Å^3
• Polar Surface Area: 71.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds