1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone

C20H19FN4OS — CID 4092263

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN4OS/c21-15-5-7-16(8-6-15)24-9-11-25(12-10-24)20(26)14-27-19-13-22-17-3-1-2-4-18(17)23-19/h1-8,13H,9-12,14H2
InChIKeyYFFBKVJKZYCXFU-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone (PubChem CID 4092263) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
PubChem CID4092263
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone
SMILESO=C(CSc1cnc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN4OS/c21-15-5-7-16(8-6-15)24-9-11-25(12-10-24)20(26)14-27-19-13-22-17-3-1-2-4-18(17)23-19/h1-8,13H,9-12,14H2
InChIKeyYFFBKVJKZYCXFU-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Quinoxalin-2-ylsulfanyl)acetic acid
CID 736252
2-(Phenylsulfanyl)quinoxaline
CID 5100142
1-[3-(quinoxalin-2-ylsulfanyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 663298
1-(4-Methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone
CID 935829
N,N-dimethyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3749686
1-(3-Methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone
CID 4134237
1-[4-(2-Fluorophenyl)piperazin-1-YL]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)ethan-1-one
CID 16030273
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-1-(piperidin-1-YL)ethan-1-one
CID 16030465
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
Cambridge id 7117678
CID 1166837
1-[4-(4-Fluorophenyl)piperazin-1-YL]-2-({3-[(4-methylphenyl)methyl]quinoxalin-2-YL}sulfanyl)ethan-1-one
CID 16030277
1-(4-Phenylpiperazin-1-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 891632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone (CID 4092263) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone is O=C(CSc1cnc2ccccc2n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone?
The InChIKey is YFFBKVJKZYCXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-15-5-7-16(8-6-15)24-9-11-25(12-10-24)20(26)14-27-19-13-22-17-3-1-2-4-18(17)23-19/h1-8,13H,9-12,14H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone has a molecular weight of 382.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinoxalin-2-ylsulfanylethanone is sourced from PubChem (CID 4092263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).