3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one

C21H20F2N4O2 — CID 50835017

IUPAC3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H20F2N4O2/c1-2-27-18-6-4-3-5-17(18)24-19(21(27)29)25-9-11-26(12-10-25)20(28)14-7-8-15(22)16(23)13-14/h3-8,13H,2,9-12H2,1H3
InChIKeyLZXPQXKSYZWHML-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.66
Rot. Bonds3

About 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one

3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one (PubChem CID 50835017) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
PubChem CID50835017
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H20F2N4O2/c1-2-27-18-6-4-3-5-17(18)24-19(21(27)29)25-9-11-26(12-10-25)20(28)14-7-8-15(22)16(23)13-14/h3-8,13H,2,9-12H2,1H3
InChIKeyLZXPQXKSYZWHML-UHFFFAOYSA-N
XLogP2.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
1-benzyl-3-[4-(3-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837506
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
1-benzyl-3-[4-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one
CID 53131472

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one?
The IUPAC name of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one (CID 50835017) is 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one.
What is the SMILES notation for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one?
The canonical SMILES for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one is CCn1c(=O)c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one?
The InChIKey is LZXPQXKSYZWHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-2-27-18-6-4-3-5-17(18)24-19(21(27)29)25-9-11-26(12-10-25)20(28)14-7-8-15(22)16(23)13-14/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one?
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one has a molecular weight of 398.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one is sourced from PubChem (CID 50835017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).