2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C25H26N4O5 — CID 24759091

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 24759091) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
• PubChem CID: 24759091
• Molecular Formula: C25H26N4O5
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.19
• IUPAC Name: 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
• SMILES: COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C
• InChI: InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30)
• InChIKey: YKRJUNOOAMJFCU-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 96.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 24759091) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1CC(=O)Nc1cn(C)nc1C.

What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?

The InChIKey is YKRJUNOOAMJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-15-20(14-29(2)28-15)27-25(30)10-16-6-7-17(11-22(16)31-3)34-21-8-9-26-19-13-24(33-5)23(32-4)12-18(19)21/h6-9,11-14H,10H2,1-5H3,(H,27,30).

What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24759091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).