8-(pyrrolidin-3-ylmethoxy)quinoline hydrochloride

• ChemBase ID: 46698
• Molecular Formular: C14H17ClN2O
• Molecular Mass: 264.75058
• Monoisotopic Mass: 264.10294085
• SMILES: c12ncccc2cccc1OCC1CNCC1.Cl
• Canonical SMILES: C1NCC(C1)COc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C14H16N2O.ClH/c1-3-12-4-2-7-16-14(12)13(5-1)17-10-11-6-8-15-9-11;/h1-5,7,11,15H,6,8-10H2;1H
• InChIKey: HHWZWYUTLOMSHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(pyrrolidin-3-ylmethoxy)quinoline hydrochloride
• IUPAC Traditional name: 8-(pyrrolidin-3-ylmethoxy)quinoline hydrochloride
• Synonyms: 8-(3-Pyrrolidinylmethoxy)quinoline hydrochloride

Database IDs

• MDL Number: MFCD13560585
• PubChem SID: 162051461
• PubChem CID: 53410309

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5659624
• LogD (pH = 7.4): -1.406399
• Log P: 1.6745762
• Molar Refractivity: 66.7171 cm^3
• Polarizability: 27.682404 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false