ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate

• ChemBase ID: 120037
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)NC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1NC)cccc2OC
• InChI: InChI=1S/C14H16N2O3/c1-4-19-14(17)10-8-16-13-9(12(10)15-2)6-5-7-11(13)18-3/h5-8H,4H2,1-3H3,(H,15,16)
• InChIKey: YXJOAUGPZDHFLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
• IUPAC Traditional name: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
• Synonyms: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate

Database IDs

• PubChem SID: 162214390
• PubChem CID: 45588942

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3606005
• LogD (pH = 7.4): 2.4549308
• Log P: 2.4562922
• Molar Refractivity: 73.4102 cm^3
• Polarizability: 28.702986 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true