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

C18H16N2O3 — CID 952615

IUPAC2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-22-13-7-9-14(10-8-13)23-12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyORYXQCBCLOXGGZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.26
Rot. Bonds5

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

2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide (PubChem CID 952615) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide
PubChem CID952615
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C18H16N2O3/c1-22-13-7-9-14(10-8-13)23-12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyORYXQCBCLOXGGZ-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 9909089
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
6-[2-[4-(2,7-dimethylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10001971
6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
CID 10048343
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139
6-{2-[3-methyl-4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319737
7-fluoro-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10387420
5-Fluoro-6-{2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl}-4H-benzo[1,4]-oxazin-3-one
CID 10454806
6-[2-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10477223
8-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 44138098
6-[2-[(2S)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 44580740

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide (CID 952615) is 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide is COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide?
The InChIKey is ORYXQCBCLOXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-13-7-9-14(10-8-13)23-12-18(21)20-17-6-2-5-16-15(17)4-3-11-19-16/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide?
2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide has a molecular weight of 308.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).