2-amino-9-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one

• ChemBase ID: 123066
• Molecular Formular: C11H6FN3OS
• Molecular Mass: 247.2482432
• Monoisotopic Mass: 247.02156105
• SMILES: n1c(=O)c2c(sc1N)c1c(nc2)ccc(c1)F
• Canonical SMILES: Fc1ccc2c(c1)c1sc(N)nc(=O)c1cn2
• InChI: InChI=1S/C11H6FN3OS/c12-5-1-2-8-6(3-5)9-7(4-14-8)10(16)15-11(13)17-9/h1-4H,(H2,13,15,16)
• InChIKey: SDCGNUYDFVHOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one
• IUPAC Traditional name: 2-amino-9-fluoro-[1,3]thiazino[5,6-c]quinolin-4-one
• Synonyms: 2-amino-9-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one

Database IDs

• PubChem SID: 162217419
• PubChem CID: 28284477

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5090945
• LogD (pH = 7.4): 1.5091337
• Log P: 1.5091342
• Molar Refractivity: 62.6057 cm^3
• Polarizability: 24.541307 Å^3
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true