6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C26H30N4OS — CID 1440319

About 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 1440319) has the molecular formula C26H30N4OS and a molecular weight of 446.62 g/mol. Its IUPAC name is 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

• Compound Name: 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
• PubChem CID: 1440319
• Molecular Formula: C26H30N4OS
• Molecular Weight: 446.62 g/mol
• Exact Mass: 446.21
• IUPAC Name: 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
• SMILES: Cc1ccc(/N=C2\Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1
• InChI: InChI=1S/C26H30N4OS/c1-18-4-6-22(7-5-18)27-26-30(9-8-29-10-12-31-13-11-29)17-21-16-23-20(3)14-19(2)15-24(23)28-25(21)32-26/h4-7,14-16H,8-13,17H2,1-3H3/b27-26-
• InChIKey: CHGRYVDOMCDAOT-RQZHXJHFSA-N
• XLogP: 5.09
• TPSA: 40.96 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.62
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?

The IUPAC name of 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 1440319) is 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

What is the SMILES notation for 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?

The canonical SMILES for 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is Cc1ccc(/N=C2\Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1.

What is the InChIKey of 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?

The InChIKey is CHGRYVDOMCDAOT-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H30N4OS/c1-18-4-6-22(7-5-18)27-26-30(9-8-29-10-12-31-13-11-29)17-21-16-23-20(3)14-19(2)15-24(23)28-25(21)32-26/h4-7,14-16H,8-13,17H2,1-3H3/b27-26-.

What are the key properties of 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?

6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 446.62 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethyl-N-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 1440319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).