2-(morpholin-2-yl)quinoline-4-carboxamide hydrochloride

• ChemBase ID: 38276
• Molecular Formular: C14H16ClN3O2
• Molecular Mass: 293.74874
• Monoisotopic Mass: 293.09310445
• SMILES: c1(cc(nc2c1cccc2)C1OCCNC1)C(=O)N.Cl
• Canonical SMILES: NC(=O)c1cc(nc2c1cccc2)C1CNCCO1.Cl
• InChI: InChI=1S/C14H15N3O2.ClH/c15-14(18)10-7-12(13-8-16-5-6-19-13)17-11-4-2-1-3-9(10)11;/h1-4,7,13,16H,5-6,8H2,(H2,15,18);1H
• InChIKey: YGCJALWURFIHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-2-yl)quinoline-4-carboxamide hydrochloride
• IUPAC Traditional name: 2-(morpholin-2-yl)quinoline-4-carboxamide hydrochloride
• Synonyms: 2-Morpholin-2-yl-quinoline-4-carboxylic acid amide hydrochloride

Database IDs

• MDL Number: MFCD12028543
• PubChem SID: 161001583
• PubChem CID: 46737161

CALCULATED PROPERTIES

• Acid pKa: 14.4021845
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5982
• LogD (pH = 7.4): 0.10292866
• Log P: 0.6148173
• Molar Refractivity: 70.6033 cm^3
• Polarizability: 28.629751 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false