2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C26H20FN3O2S — CID 43833026

About 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 43833026) has the molecular formula C26H20FN3O2S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• PubChem CID: 43833026
• Molecular Formula: C26H20FN3O2S
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.13
• IUPAC Name: 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)Cn4c(C)cc(=O)c5cccc(F)c54)cc3)sc2c1
• InChI: InChI=1S/C26H20FN3O2S/c1-15-6-11-21-23(12-15)33-26(29-21)17-7-9-18(10-8-17)28-24(32)14-30-16(2)13-22(31)19-4-3-5-20(27)25(19)30/h3-13H,14H2,1-2H3,(H,28,32)
• InChIKey: IFJKWYDCXZTRDH-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The IUPAC name of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 43833026) is 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cn4c(C)cc(=O)c5cccc(F)c54)cc3)sc2c1.

What is the InChIKey of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

The InChIKey is IFJKWYDCXZTRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2S/c1-15-6-11-21-23(12-15)33-26(29-21)17-7-9-18(10-8-17)28-24(32)14-30-16(2)13-22(31)19-4-3-5-20(27)25(19)30/h3-13H,14H2,1-2H3,(H,28,32).

What are the key properties of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?

2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 43833026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).