ethyl 4-(dimethylamino)quinoline-3-carboxylate

• ChemBase ID: 124025
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1(c(c2c(nc1)cccc2)N(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1N(C)C)cccc2
• InChI: InChI=1S/C14H16N2O2/c1-4-18-14(17)11-9-15-12-8-6-5-7-10(12)13(11)16(2)3/h5-9H,4H2,1-3H3
• InChIKey: YDUVHEKZYACIHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(dimethylamino)quinoline-3-carboxylate
• IUPAC Traditional name: ethyl 4-(dimethylamino)quinoline-3-carboxylate
• Synonyms: ethyl 4-(dimethylamino)quinoline-3-carboxylate

Database IDs

• PubChem SID: 162218378
• PubChem CID: 43826504

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7099324
• LogD (pH = 7.4): 2.5482395
• Log P: 2.5992293
• Molar Refractivity: 71.1818 cm^3
• Polarizability: 28.033504 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true