N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide

C20H20N2O2 — CID 112978120

IUPACN-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc3cccnc23)cc1C
InChIInChI=1S/C20H20N2O2/c1-13-10-15(3)18(11-14(13)2)24-12-19(23)22-17-8-4-6-16-7-5-9-21-20(16)17/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyXFZGJBQJDHWZIR-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.18
Rot. Bonds4

About N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide

N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 112978120) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID112978120
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cccc3cccnc23)cc1C
InChIInChI=1S/C20H20N2O2/c1-13-10-15(3)18(11-14(13)2)24-12-19(23)22-17-8-4-6-16-7-5-9-21-20(16)17/h4-11H,12H2,1-3H3,(H,22,23)
InChIKeyXFZGJBQJDHWZIR-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
2-(2-chlorophenoxy)-N-quinolin-8-ylacetamide
CID 952634
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532
N-(3-chloro-2-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 99839855
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
2-(3-methylazetidin-3-yl)oxy-N-quinolin-8-ylacetamide
CID 102611786

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide (CID 112978120) is N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2cccc3cccnc23)cc1C.
What is the InChIKey of N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is XFZGJBQJDHWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-10-15(3)18(11-14(13)2)24-12-19(23)22-17-8-4-6-16-7-5-9-21-20(16)17/h4-11H,12H2,1-3H3,(H,22,23).
What are the key properties of N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide?
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 320.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 112978120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).