N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide

C20H28N4O3 — CID 55507256

IUPACN,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C20H28N4O3/c1-3-23(4-2)19(26)14-22-9-11-24(12-10-22)20(27)16-13-18(25)21-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25)
InChIKeyKAUPBYMCOVAXEY-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.12
Rot. Bonds5

About N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55507256) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID55507256
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C20H28N4O3/c1-3-23(4-2)19(26)14-22-9-11-24(12-10-22)20(27)16-13-18(25)21-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25)
InChIKeyKAUPBYMCOVAXEY-UHFFFAOYSA-N
XLogP1.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide (CID 55507256) is N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)C2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is KAUPBYMCOVAXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-23(4-2)19(26)14-22-9-11-24(12-10-22)20(27)16-13-18(25)21-17-8-6-5-7-15(16)17/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25).
What are the key properties of N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55507256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).