1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one

C22H23FN4O2 — CID 50837441

IUPAC1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-3-27-19-7-5-4-6-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)16-9-8-15(2)17(23)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyMBXWKMVFMBJZFO-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.83
Rot. Bonds3

About 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one

1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one (PubChem CID 50837441) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
PubChem CID50837441
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
SMILESCCn1c(=O)c(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc2ccccc21
InChIInChI=1S/C22H23FN4O2/c1-3-27-19-7-5-4-6-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)16-9-8-15(2)17(23)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyMBXWKMVFMBJZFO-UHFFFAOYSA-N
XLogP2.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
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-(2,5-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
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-(3-chlorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837505
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one (CID 50837441) is 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one is CCn1c(=O)c(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one?
The InChIKey is MBXWKMVFMBJZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-3-27-19-7-5-4-6-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)16-9-8-15(2)17(23)14-16/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one?
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one has a molecular weight of 394.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one is sourced from PubChem (CID 50837441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).