2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

C20H23N3O2 — CID 108505672

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-2-22(15-11-16-9-12-21-13-10-16)19(24)20(25)23-14-5-7-17-6-3-4-8-18(17)23/h3-4,6,8-10,12-13H,2,5,7,11,14-15H2,1H3
InChIKeyGYHULWJTNFZDPA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.45
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 108505672) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID108505672
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H23N3O2/c1-2-22(15-11-16-9-12-21-13-10-16)19(24)20(25)23-14-5-7-17-6-3-4-8-18(17)23/h3-4,6,8-10,12-13H,2,5,7,11,14-15H2,1H3
InChIKeyGYHULWJTNFZDPA-UHFFFAOYSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164391
N-[2-(4-chlorophenyl)ethyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113165464
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331252
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (CID 108505672) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is GYHULWJTNFZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-22(15-11-16-9-12-21-13-10-16)19(24)20(25)23-14-5-7-17-6-3-4-8-18(17)23/h3-4,6,8-10,12-13H,2,5,7,11,14-15H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 108505672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).