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

• ChemBase ID: 123061
• Molecular Formular: C11H6ClN3OS
• Molecular Mass: 263.70284
• Monoisotopic Mass: 262.99201051
• SMILES: n1c(=O)c2c(sc1N)c1c(nc2)c(Cl)ccc1
• Canonical SMILES: Nc1nc(=O)c2c(s1)c1cccc(c1nc2)Cl
• InChI: InChI=1S/C11H6ClN3OS/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: ICCWABLWUHWPTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217414
• PubChem CID: 28284471

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9704685
• LogD (pH = 7.4): 1.9704767
• Log P: 1.9704769
• Molar Refractivity: 67.1941 cm^3
• Polarizability: 26.766142 Å^3
• Polar Surface Area: 68.34 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true