2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide

C₁₇H₁₂Cl₂N₂O₂ — CID 37001376

About 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide

2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide (PubChem CID 37001376) has the molecular formula C₁₇H₁₂Cl₂N₂O₂ and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide.

Molecular Properties

• Compound Name: 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
• PubChem CID: 37001376
• Molecular Formula: C₁₇H₁₂Cl₂N₂O₂
• Molecular Weight: 347.20 g/mol
• Exact Mass: 346.03
• IUPAC Name: 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
• SMILES: O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc2cccnc12
• InChI: InChI=1S/C17H12Cl2N2O2/c18-13-7-6-12(9-14(13)19)23-10-16(22)21-15-5-1-3-11-4-2-8-20-17(11)15/h1-9H,10H2,(H,21,22)
• InChIKey: YYWJELUXMWEHEP-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.20
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide?

The IUPAC name of 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide (CID 37001376) is 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide.

What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide?

The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide is O=C(COc1ccc(Cl)c(Cl)c1)Nc1cccc2cccnc12.

What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide?

The InChIKey is YYWJELUXMWEHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-13-7-6-12(9-14(13)19)23-10-16(22)21-15-5-1-3-11-4-2-8-20-17(11)15/h1-9H,10H2,(H,21,22).

What are the key properties of 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide?

2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide has a molecular weight of 347.20 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 37001376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 37001376 — identifiers, structure, computed properties (public domain)

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