4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide

C21H22N2O3 — CID 5124937

IUPAC4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-2-25-16-10-12-17(13-11-16)26-15-5-9-21(24)23-20-8-3-7-19-18(20)6-4-14-22-19/h3-4,6-8,10-14H,2,5,9,15H2,1H3,(H,23,24)
InChIKeyQBDKDFLRYQTLLW-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.43
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide

4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide (PubChem CID 5124937) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
PubChem CID5124937
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
SMILESCCOc1ccc(OCCCC(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-2-25-16-10-12-17(13-11-16)26-15-5-9-21(24)23-20-8-3-7-19-18(20)6-4-14-22-19/h3-4,6-8,10-14H,2,5,9,15H2,1H3,(H,23,24)
InChIKeyQBDKDFLRYQTLLW-UHFFFAOYSA-N
XLogP4.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.43
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

4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
4-(4-ethoxyphenoxy)-N-(1H-indazol-7-yl)butanamide
CID 34149775
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
methyl N-quinolin-5-ylcarbamate
CID 110734012
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-quinolin-5-ylpropanamide
CID 78821919
(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2475343
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
CID 134067274

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide (CID 5124937) is 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide is CCOc1ccc(OCCCC(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide?
The InChIKey is QBDKDFLRYQTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-25-16-10-12-17(13-11-16)26-15-5-9-21(24)23-20-8-3-7-19-18(20)6-4-14-22-19/h3-4,6-8,10-14H,2,5,9,15H2,1H3,(H,23,24).
What are the key properties of 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide?
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide has a molecular weight of 350.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide is sourced from PubChem (CID 5124937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).