8-(morpholin-4-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoxalin-7-ol

• ChemBase ID: 233821
• Molecular Formular: C14H15N3O4
• Molecular Mass: 289.2866
• Monoisotopic Mass: 289.10625598
• SMILES: c1(nc2c(nc1O)cc1c(c2)OCCO1)N1CCOCC1
• Canonical SMILES: Oc1nc2cc3OCCOc3cc2nc1N1CCOCC1
• InChI: InChI=1S/C14H15N3O4/c18-14-13(17-1-3-19-4-2-17)15-9-7-11-12(8-10(9)16-14)21-6-5-20-11/h7-8H,1-6H2,(H,16,18)
• InChIKey: UBPKUBGNKYKVAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(morpholin-4-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoxalin-7-ol
• IUPAC Traditional name: 8-(morpholin-4-yl)-2H,3H-[1,4]dioxino[2,3-g]quinoxalin-7-ol
• Synonyms: 8-morpholin-4-yl-2,3-dihydro[1,4]dioxino[2,3-g]quinoxalin-7-ol

Database IDs

• MDL Number: MFCD04623644
• PubChem SID: 164289731
• PubChem CID: 2398403

CALCULATED PROPERTIES

• Acid pKa: 12.419766
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.5846606
• LogD (pH = 7.4): 1.587069
• Log P: 1.5871041
• Molar Refractivity: 74.5188 cm^3
• Polarizability: 29.458742 Å^3
• Polar Surface Area: 76.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.16

Product Information

• Purity: 95%