2-chloro-3-(morpholin-4-yl)quinoxaline

• ChemBase ID: 83069
• Molecular Formular: C12H12ClN3O
• Molecular Mass: 249.69618
• Monoisotopic Mass: 249.0668897
• SMILES: n1c(c(nc2c1cccc2)Cl)N1CCOCC1
• Canonical SMILES: Clc1nc2ccccc2nc1N1CCOCC1
• InChI: InChI=1S/C12H12ClN3O/c13-11-12(16-5-7-17-8-6-16)15-10-4-2-1-3-9(10)14-11/h1-4H,5-8H2
• InChIKey: FMGODTXGSITMNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(morpholin-4-yl)quinoxaline
• IUPAC Traditional name: 2-chloro-3-(morpholin-4-yl)quinoxaline
• Synonyms: 4-(3-chloroquinoxalin-2-yl)morpholine; 2-chloro-3-(morpholin-4-yl)quinoxaline

Database IDs

• MDL Number: MFCD00105615
• PubChem SID: 162070188
• PubChem CID: 240828

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6072063
• LogD (pH = 7.4): 2.6073
• Log P: 2.6073012
• Molar Refractivity: 67.1331 cm^3
• Polarizability: 26.462378 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.417

Product Information

• Purity: 95%