(3R)-6-chloro-3-methyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-2-one

• ChemBase ID: 129209
• Molecular Formular: C11H10ClN3O
• Molecular Mass: 235.6696
• Monoisotopic Mass: 235.05123964
• SMILES: Clc1cccc2c1CN1C(=NC(=O)[C@H]1C)N2
• Canonical SMILES: O=C1N=C2N([C@@H]1C)Cc1c(N2)cccc1Cl
• InChI: InChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
• InChIKey: BHZFZYLBVSWUMT-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-6-chloro-3-methyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-2-one
• IUPAC Traditional name: quazinone
• Synonyms: Ro 13-6438; Quazinone

Database IDs

• CAS Number: 70018-51-8
• PubChem SID: 162223506
• PubChem CID: 6603980
• Chemspider ID: 5036286
• KEGG ID: D05668
• Unique Ingredient Identifier: D1Q7F6C2FP
• Wikipedia Title: Quazinone

CALCULATED PROPERTIES

• Molar Refractivity: 62.5063 cm^3
• Polarizability: 23.05767 Å^3
• Polar Surface Area: 44.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 6.1284704
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5569943
• LogD (pH = 7.4): 0.3603554
• Log P: 1.6486945

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only