methyl 4-aminoquinoline-2-carboxylate hydrochloride

• ChemBase ID: 242289
• Molecular Formular: C11H11ClN2O2
• Molecular Mass: 238.67024
• Monoisotopic Mass: 238.05090528
• SMILES: n1c(cc(c2c1cccc2)N)C(=O)OC.Cl
• Canonical SMILES: COC(=O)c1cc(N)c2c(n1)cccc2.Cl
• InChI: InChI=1S/C11H10N2O2.ClH/c1-15-11(14)10-6-8(12)7-4-2-3-5-9(7)13-10;/h2-6H,1H3,(H2,12,13);1H
• InChIKey: JCWBQKAKAUZMBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-aminoquinoline-2-carboxylate hydrochloride
• IUPAC Traditional name: methyl 4-aminoquinoline-2-carboxylate hydrochloride
• Synonyms: methyl 4-aminoquinoline-2-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22566017
• PubChem SID: 164298199
• PubChem CID: 71756981

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2434082
• LogD (pH = 7.4): 1.4870632
• Log P: 1.4913018
• Molar Refractivity: 56.333 cm^3
• Polarizability: 22.505802 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.495

Product Information

• Purity: 95%