2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide

C17H13ClN2O2 — CID 952570

IUPAC2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C17H13ClN2O2/c18-12-6-8-13(9-7-12)22-11-17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21)
InChIKeyXAKCYVHOTBFFLY-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide

2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide (PubChem CID 952570) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
PubChem CID952570
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C17H13ClN2O2/c18-12-6-8-13(9-7-12)22-11-17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21)
InChIKeyXAKCYVHOTBFFLY-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)-N-quinolin-5-ylacetamide
CID 46664559
2-(2,3-dihydro-1H-inden-5-yloxy)-N-quinolin-5-ylacetamide
CID 3531115
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
[2-oxo-2-(quinolin-5-ylamino)ethyl] 4-methoxybenzoate
CID 41332969
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
CID 5124937
2-(4-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30884754
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide (CID 952570) is 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide is O=C(COc1ccc(Cl)cc1)Nc1cccc2ncccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide?
The InChIKey is XAKCYVHOTBFFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-12-6-8-13(9-7-12)22-11-17(21)20-16-5-1-4-15-14(16)3-2-10-19-15/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide?
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide has a molecular weight of 312.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 952570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).