Metabolite 6,7-dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one
- Name
- 6,7-dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- PIN0NPZ24B
- CAS number
- Not Available
- Weight
- Average: 272.087
Monoisotopic: 270.991531897 - Chemical Formula
- C10H7Cl2N3O2
- InChI Key
- KAXTUTDKZVOONF-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
- IUPAC Name
- 6,7-dichloro-3-hydroxy-1H,2H,3H,5H-imidazo[2,1-b]quinazolin-2-one
- SMILES
- OC1N2CC3=C(Cl)C(Cl)=CC=C3N=C2NC1=O
- Reactions
- Anagrelide 6,7-dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one
- 6,7-dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one 2-amino-5,6-dichloro-3,4,-dihydroquinazoline
- Anagrelide 6,7-dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 147.8593778 predictedDarkChem Lite v0.1.0 [M-H]- 149.95789 predictedDeepCCS 1.0 (2019) [M+H]+ 148.5233778 predictedDarkChem Lite v0.1.0 [M+H]+ 152.31589 predictedDeepCCS 1.0 (2019) [M+Na]+ 148.1748778 predictedDarkChem Lite v0.1.0 [M+Na]+ 158.40904 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060793
- ChemSpider
- 9754683
- ChEBI
- 171706
- Predicted Properties
Property Value Source Water Solubility 0.443 mg/mL ALOGPS logP 1.27 ALOGPS logP 1.66 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 10.77 Chemaxon pKa (Strongest Basic) 1.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 64.93 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 64.45 m3·mol-1 Chemaxon Polarizability 24.41 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon