N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide

C25H21ClFN3O4 — CID 143025933

About N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide

N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide (PubChem CID 143025933) has the molecular formula C25H21ClFN3O4 and a molecular weight of 481.91 g/mol. Its IUPAC name is N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
• PubChem CID: 143025933
• Molecular Formula: C25H21ClFN3O4
• Molecular Weight: 481.91 g/mol
• Exact Mass: 481.12
• IUPAC Name: N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
• SMILES: COc1cc2nccc(Oc3ncc(NC(=O)Cc4cccc(CF)c4)cc3Cl)c2cc1OC
• InChI: InChI=1S/C25H21ClFN3O4/c1-32-22-11-18-20(12-23(22)33-2)28-7-6-21(18)34-25-19(26)10-17(14-29-25)30-24(31)9-15-4-3-5-16(8-15)13-27/h3-8,10-12,14H,9,13H2,1-2H3,(H,30,31)
• InChIKey: DIOHXNVVNCBUAK-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.91
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide?

The IUPAC name of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide (CID 143025933) is N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide is COc1cc2nccc(Oc3ncc(NC(=O)Cc4cccc(CF)c4)cc3Cl)c2cc1OC.

What is the InChIKey of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide?

The InChIKey is DIOHXNVVNCBUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O4/c1-32-22-11-18-20(12-23(22)33-2)28-7-6-21(18)34-25-19(26)10-17(14-29-25)30-24(31)9-15-4-3-5-16(8-15)13-27/h3-8,10-12,14H,9,13H2,1-2H3,(H,30,31).

What are the key properties of N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide?

N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide has a molecular weight of 481.91 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143025933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).