2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C21H26N4O3 — CID 51283891

IUPAC2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc2c1
InChIInChI=1S/C21H26N4O3/c1-13(2)22-19(26)21(28)25-9-7-24(8-10-25)20(27)17-12-16-11-14(3)5-6-18(16)23-15(17)4/h5-6,11-13H,7-10H2,1-4H3,(H,22,26)
InChIKeyDKTYJKDOXYTUAZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.66
Rot. Bonds2

About 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51283891) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51283891
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1ccc2nc(C)c(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc2c1
InChIInChI=1S/C21H26N4O3/c1-13(2)22-19(26)21(28)25-9-7-24(8-10-25)20(27)17-12-16-11-14(3)5-6-18(16)23-15(17)4/h5-6,11-13H,7-10H2,1-4H3,(H,22,26)
InChIKeyDKTYJKDOXYTUAZ-UHFFFAOYSA-N
XLogP1.66
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772160
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 41469728
2-[4-(5-methyl-1H-indazole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 78868399
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51283891) is 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is Cc1ccc2nc(C)c(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc2c1.
What is the InChIKey of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is DKTYJKDOXYTUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)22-19(26)21(28)25-9-7-24(8-10-25)20(27)17-12-16-11-14(3)5-6-18(16)23-15(17)4/h5-6,11-13H,7-10H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 382.46 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51283891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).