5H,10H-imidazo[1,2-b]isoquinoline-5,10-dione

• ChemBase ID: 253541
• Molecular Formular: C11H6N2O2
• Molecular Mass: 198.17754
• Monoisotopic Mass: 198.04292744
• SMILES: n12c(C(=O)c3c(C1=O)cccc3)ncc2
• Canonical SMILES: O=C1c2ccccc2C(=O)c2n1ccn2
• InChI: InChI=1S/C11H6N2O2/c14-9-7-3-1-2-4-8(7)11(15)13-6-5-12-10(9)13/h1-6H
• InChIKey: YXEOGWKIIAIXJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,10H-imidazo[1,2-b]isoquinoline-5,10-dione
• IUPAC Traditional name: imidazo[1,2-b]isoquinoline-5,10-dione
• Synonyms: imidazo[1,2-b]isoquinoline-5,10-dione

Database IDs

• CAS Number: 36142-27-5
• MDL Number: MFCD00128522
• PubChem SID: 164309451
• PubChem CID: 12262920

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8924093
• LogD (pH = 7.4): 0.8924114
• Log P: 0.8924115
• Molar Refractivity: 52.9483 cm^3
• Polarizability: 19.949251 Å^3
• Polar Surface Area: 51.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.358

Product Information

• Purity: 95%