2-amino-7-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one

• ChemBase ID: 123435
• Molecular Formular: C11H6FN3OS
• Molecular Mass: 247.2482432
• Monoisotopic Mass: 247.02156105
• SMILES: n1c(=O)c2c(sc1N)c1c(nc2)c(F)ccc1
• Canonical SMILES: Nc1nc(=O)c2c(s1)c1cccc(c1nc2)F
• InChI: InChI=1S/C11H6FN3OS/c12-7-3-1-2-5-8(7)14-4-6-9(5)17-11(13)15-10(6)16/h1-4H,(H2,13,15,16)
• InChIKey: KUAOTLYGDDPGDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-7-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one
• IUPAC Traditional name: 2-amino-7-fluoro-[1,3]thiazino[5,6-c]quinolin-4-one
• Synonyms: 2-amino-7-fluoro-4H-[1,3]thiazino[5,6-c]quinolin-4-one

Database IDs

• PubChem SID: 162217788
• PubChem CID: 26343065

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5091335
• LogD (pH = 7.4): 1.5091342
• Log P: 1.5091342
• Molar Refractivity: 62.6057 cm^3
• Polarizability: 24.547266 Å^3
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true