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

• ChemBase ID: 225459
• Molecular Formular: C19H20N2O4
• Molecular Mass: 340.3731
• Monoisotopic Mass: 340.14230713
• SMILES: c1(c(cc(Nc2c3c(cc(cc3)OC)ncc2)cc1OC)OC)OC
• Canonical SMILES: COc1ccc2c(c1)nccc2Nc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C19H20N2O4/c1-22-13-5-6-14-15(7-8-20-16(14)11-13)21-12-9-17(23-2)19(25-4)18(10-12)24-3/h5-11H,1-4H3,(H,20,21)
• InChIKey: GRKVQPWSPUXGKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281369
• PubChem CID: 50877923

CALCULATED PROPERTIES

• Acid pKa: 19.37535
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6552333
• LogD (pH = 7.4): 2.517097
• Log P: 2.9401412
• Molar Refractivity: 94.3183 cm^3
• Polarizability: 37.737667 Å^3
• Polar Surface Area: 61.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds