N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide

C20H20N2O3 — CID 134036124

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
SMILESCOc1ccc(OCCNC(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H20N2O3/c1-24-17-7-9-18(10-8-17)25-13-12-21-19(23)14-16-5-2-4-15-6-3-11-22-20(15)16/h2-11H,12-14H2,1H3,(H,21,23)
InChIKeyGBLXNLJMAYCXKS-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.98
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide (PubChem CID 134036124) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
PubChem CID134036124
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
SMILESCOc1ccc(OCCNC(=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H20N2O3/c1-24-17-7-9-18(10-8-17)25-13-12-21-19(23)14-16-5-2-4-15-6-3-11-22-20(15)16/h2-11H,12-14H2,1H3,(H,21,23)
InChIKeyGBLXNLJMAYCXKS-UHFFFAOYSA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
4-butoxy-N-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]benzamide
CID 78836623
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111276440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide (CID 134036124) is N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide is COc1ccc(OCCNC(=O)Cc2cccc3cccnc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide?
The InChIKey is GBLXNLJMAYCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-24-17-7-9-18(10-8-17)25-13-12-21-19(23)14-16-5-2-4-15-6-3-11-22-20(15)16/h2-11H,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide has a molecular weight of 336.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 134036124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).