N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide

C26H20FN3O4S — CID 11397684

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide (PubChem CID 11397684) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
• PubChem CID: 11397684
• Molecular Formula: C26H20FN3O4S
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.12
• IUPAC Name: N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
• SMILES: COc1cc2nccc(Oc3cc4sc(NC(=O)Cc5ccccc5)nc4cc3F)c2cc1OC
• InChI: InChI=1S/C26H20FN3O4S/c1-32-22-11-16-18(13-23(22)33-2)28-9-8-20(16)34-21-14-24-19(12-17(21)27)29-26(35-24)30-25(31)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,29,30,31)
• InChIKey: GMUOUSWMBPIKKN-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide?

The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide (CID 11397684) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide is COc1cc2nccc(Oc3cc4sc(NC(=O)Cc5ccccc5)nc4cc3F)c2cc1OC.

What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide?

The InChIKey is GMUOUSWMBPIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-32-22-11-16-18(13-23(22)33-2)28-9-8-20(16)34-21-14-24-19(12-17(21)27)29-26(35-24)30-25(31)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,29,30,31).

What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide?

N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide has a molecular weight of 489.53 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 11397684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).