1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one

C19H20N4O2S — CID 46393079

IUPAC1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-2-23-15-7-4-3-6-14(15)20-17(19(23)25)21-9-11-22(12-10-21)18(24)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3
InChIKeyIZJYLBYICBURFW-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.44
Rot. Bonds3

About 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one

1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 46393079) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID46393079
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-2-23-15-7-4-3-6-14(15)20-17(19(23)25)21-9-11-22(12-10-21)18(24)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3
InChIKeyIZJYLBYICBURFW-UHFFFAOYSA-N
XLogP2.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757143
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one (CID 46393079) is 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one is CCn1c(=O)c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is IZJYLBYICBURFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-23-15-7-4-3-6-14(15)20-17(19(23)25)21-9-11-22(12-10-21)18(24)16-8-5-13-26-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one?
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 368.46 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 46393079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).