2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide

C21H21N3O3 — CID 113173997

IUPAC2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc3cccnc23)C(C)=O)cc1
InChIInChI=1S/C21H21N3O3/c1-3-27-18-11-9-17(10-12-18)24(15(2)25)14-20(26)23-19-8-4-6-16-7-5-13-22-21(16)19/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyNUBSBXBJOVXKLP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.63
Rot. Bonds6

About 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide

2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide (PubChem CID 113173997) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
PubChem CID113173997
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCCOc1ccc(N(CC(=O)Nc2cccc3cccnc23)C(C)=O)cc1
InChIInChI=1S/C21H21N3O3/c1-3-27-18-11-9-17(10-12-18)24(15(2)25)14-20(26)23-19-8-4-6-16-7-5-13-22-21(16)19/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyNUBSBXBJOVXKLP-UHFFFAOYSA-N
XLogP3.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide (CID 113173997) is 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide is CCOc1ccc(N(CC(=O)Nc2cccc3cccnc23)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The InChIKey is NUBSBXBJOVXKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-27-18-11-9-17(10-12-18)24(15(2)25)14-20(26)23-19-8-4-6-16-7-5-13-22-21(16)19/h4-13H,3,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide?
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide has a molecular weight of 363.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113173997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).