3-(dipropylamino)quinoxalin-2-ol

• ChemBase ID: 233997
• Molecular Formular: C14H19N3O
• Molecular Mass: 245.32016
• Monoisotopic Mass: 245.15281224
• SMILES: c1(nc2c(nc1O)cccc2)N(CCC)CCC
• Canonical SMILES: CCCN(c1nc2ccccc2nc1O)CCC
• InChI: InChI=1S/C14H19N3O/c1-3-9-17(10-4-2)13-14(18)16-12-8-6-5-7-11(12)15-13/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
• InChIKey: CAQCNYSPSPSZGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dipropylamino)quinoxalin-2-ol
• IUPAC Traditional name: 3-(dipropylamino)quinoxalin-2-ol
• Synonyms: 3-(dipropylamino)quinoxalin-2-ol

Database IDs

• MDL Number: MFCD04631664
• PubChem SID: 164289907
• PubChem CID: 2410717

CALCULATED PROPERTIES

• Acid pKa: 12.091709
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.0503373
• LogD (pH = 7.4): 4.051114
• Log P: 4.0511327
• Molar Refractivity: 73.0321 cm^3
• Polarizability: 28.865482 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.242

Product Information

• Purity: 95%