3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide

C22H23N3O3 — CID 113129507

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-19-11-9-18(10-12-19)25(16(2)26)15-13-21(27)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,3,13,15H2,1-2H3,(H,24,27)
InChIKeyWBZYSBVJQHZWHU-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.02
Rot. Bonds7

About 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide

3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide (PubChem CID 113129507) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
PubChem CID113129507
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-19-11-9-18(10-12-19)25(16(2)26)15-13-21(27)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,3,13,15H2,1-2H3,(H,24,27)
InChIKeyWBZYSBVJQHZWHU-UHFFFAOYSA-N
XLogP4.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129516
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide (CID 113129507) is 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide is CCOc1ccc(N(CCC(=O)Nc2cccc3cccnc23)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is WBZYSBVJQHZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-19-11-9-18(10-12-19)25(16(2)26)15-13-21(27)24-20-8-4-6-17-7-5-14-23-22(17)20/h4-12,14H,3,13,15H2,1-2H3,(H,24,27).
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide?
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 377.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113129507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).