3-(2-ethylanilino)-N-quinolin-8-ylpropanamide

C20H21N3O — CID 109036237

IUPAC3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H21N3O/c1-2-15-7-3-4-10-17(15)21-14-12-19(24)23-18-11-5-8-16-9-6-13-22-20(16)18/h3-11,13,21H,2,12,14H2,1H3,(H,23,24)
InChIKeyOCPYULLUNBOAKR-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide

3-(2-ethylanilino)-N-quinolin-8-ylpropanamide (PubChem CID 109036237) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
PubChem CID109036237
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
SMILESCCc1ccccc1NCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H21N3O/c1-2-15-7-3-4-10-17(15)21-14-12-19(24)23-18-11-5-8-16-9-6-13-22-20(16)18/h3-11,13,21H,2,12,14H2,1H3,(H,23,24)
InChIKeyOCPYULLUNBOAKR-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
CID 109042389
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
N-quinolin-8-ylundecanamide
CID 3567928
3-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109024907
1-propyl-3-quinolin-8-ylurea
CID 13078451
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109040020
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide (CID 109036237) is 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide is CCc1ccccc1NCCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide?
The InChIKey is OCPYULLUNBOAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-15-7-3-4-10-17(15)21-14-12-19(24)23-18-11-5-8-16-9-6-13-22-20(16)18/h3-11,13,21H,2,12,14H2,1H3,(H,23,24).
What are the key properties of 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide?
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide has a molecular weight of 319.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 109036237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).