propan-2-yl 4-chloro-2-methylquinoline-6-carboxylate

• ChemBase ID: 123221
• Molecular Formular: C14H14ClNO2
• Molecular Mass: 263.71946
• Monoisotopic Mass: 263.07130637
• SMILES: c12c(nc(cc2Cl)C)ccc(C(=O)OC(C)C)c1
• Canonical SMILES: CC(OC(=O)c1ccc2c(c1)c(Cl)cc(n2)C)C
• InChI: InChI=1S/C14H14ClNO2/c1-8(2)18-14(17)10-4-5-13-11(7-10)12(15)6-9(3)16-13/h4-8H,1-3H3
• InChIKey: DSTAOHCQXOWKPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 4-chloro-2-methylquinoline-6-carboxylate
• IUPAC Traditional name: isopropyl 4-chloro-2-methylquinoline-6-carboxylate
• Synonyms: isopropyl 4-chloro-2-methylquinoline-6-carboxylate

Database IDs

• PubChem SID: 162217574
• PubChem CID: 33730495

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6369665
• LogD (pH = 7.4): 3.6430964
• Log P: 3.6431754
• Molar Refractivity: 70.5683 cm^3
• Polarizability: 28.685335 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true