1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one

C23H24FN3O2S — CID 20864364

IUPAC1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24FN3O2S/c1-2-27-20-6-4-3-5-19(20)21(15-22(27)28)30-16-23(29)26-13-11-25(12-14-26)18-9-7-17(24)8-10-18/h3-10,15H,2,11-14,16H2,1H3
InChIKeyYWKKQFGCVFVJEY-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.60
Rot. Bonds5

About 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one

1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one (PubChem CID 20864364) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
PubChem CID20864364
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H24FN3O2S/c1-2-27-20-6-4-3-5-19(20)21(15-22(27)28)30-16-23(29)26-13-11-25(12-14-26)18-9-7-17(24)8-10-18/h3-10,15H,2,11-14,16H2,1H3
InChIKeyYWKKQFGCVFVJEY-UHFFFAOYSA-N
XLogP3.60
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one with MolForge

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Related Compounds

4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-ethylquinolin-2-one
CID 20864385
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 40688694
1-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 46254020
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
CID 20861922
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 20864343
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
1-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylquinolin-2-one
CID 3236276
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-methylquinolin-2-one
CID 20856501
2-[[4-ethyl-5-[1-(2-fluorophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 43867577
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2,5-difluorophenyl)sulfanylethanone
CID 9303446

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The IUPAC name of 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one (CID 20864364) is 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The canonical SMILES for 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one is CCn1c(=O)cc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The InChIKey is YWKKQFGCVFVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-2-27-20-6-4-3-5-19(20)21(15-22(27)28)30-16-23(29)26-13-11-25(12-14-26)18-9-7-17(24)8-10-18/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one has a molecular weight of 425.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one is sourced from PubChem (CID 20864364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).