8-chloro-4-methyl-1H,2H,3H,4H,4aH,5H,6H,10bH-benzo[f]quinolin-3-one

• ChemBase ID: 126140
• Molecular Formular: C14H16ClNO
• Molecular Mass: 249.73594
• Monoisotopic Mass: 249.09204182
• SMILES: CN1C2CCc3c(C2CCC1=O)ccc(c3)Cl
• Canonical SMILES: Clc1ccc2c(c1)CCC1C2CCC(=O)N1C
• InChI: InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3
• InChIKey: WQBIOEFDDDEARX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-4-methyl-1H,2H,3H,4H,4aH,5H,6H,10bH-benzo[f]quinolin-3-one
• IUPAC Traditional name: bexlosteride
• Synonyms: Bexlosteride

Database IDs

• CAS Number: 202189-78-4
• PubChem SID: 162220481
• PubChem CID: 9859767; 166562
• CHEMBL: 24955
• Chemspider ID: 145762
• Unique Ingredient Identifier: 36X732P4P0
• Wikipedia Title: Bexlosteride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7356803
• LogD (pH = 7.4): 2.735681
• Log P: 2.735681
• Molar Refractivity: 68.7078 cm^3
• Polarizability: 26.669548 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled