6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

C26H20FN3O5 — CID 59813324

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (PubChem CID 59813324) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
• PubChem CID: 59813324
• Molecular Formula: C26H20FN3O5
• Molecular Weight: 473.46 g/mol
• Exact Mass: 473.14
• IUPAC Name: 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3F)c2cc1OC
• InChI: InChI=1S/C26H20FN3O5/c1-14-11-24(30-35-14)29-26(31)17-6-4-5-16-15(17)7-8-21(25(16)27)34-20-9-10-28-19-13-23(33-3)22(32-2)12-18(19)20/h4-13H,1-3H3,(H,29,30,31)
• InChIKey: XFRDJJGZZYYKLS-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 95.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.46
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?

The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (CID 59813324) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.

What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?

The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3F)c2cc1OC.

What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?

The InChIKey is XFRDJJGZZYYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c1-14-11-24(30-35-14)29-26(31)17-6-4-5-16-15(17)7-8-21(25(16)27)34-20-9-10-28-19-13-23(33-3)22(32-2)12-18(19)20/h4-13H,1-3H3,(H,29,30,31).

What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?

6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 473.46 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 59813324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).