methyl quinoline-2-carboxylate hydrochloride

• ChemBase ID: 270414
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: n1c(C(=O)OC)ccc2c1cccc2.Cl
• Canonical SMILES: COC(=O)c1ccc2c(n1)cccc2.Cl
• InChI: InChI=1S/C11H9NO2.ClH/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10;/h2-7H,1H3;1H
• InChIKey: LZBLERWZXBUGMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl quinoline-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl quinoline-2-carboxylate hydrochloride
• Synonyms: methyl quinoline-2-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD17480385
• PubChem SID: 164326324
• PubChem CID: 24192345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3201694
• LogD (pH = 7.4): 2.3202271
• Log P: 2.3202279
• Molar Refractivity: 51.6326 cm^3
• Polarizability: 21.383522 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.751

Product Information

• Purity: 95%