6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one

C18H16F3N5O3S — CID 22055302

IUPAC6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2[nH]1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)14-10-17(27)24-15-2-1-12(9-13(14)15)30(28,29)26-7-5-25(6-8-26)16-11-22-3-4-23-16/h1-4,9-11H,5-8H2,(H,24,27)
InChIKeyFXVQQILQWPIAKS-UHFFFAOYSA-N
MW439.42 g/mol
LogP1.85
Rot. Bonds3

About 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one

6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22055302) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22055302
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2[nH]1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)14-10-17(27)24-15-2-1-12(9-13(14)15)30(28,29)26-7-5-25(6-8-26)16-11-22-3-4-23-16/h1-4,9-11H,5-8H2,(H,24,27)
InChIKeyFXVQQILQWPIAKS-UHFFFAOYSA-N
XLogP1.85
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,1-difluoropropyl)-6-(4-pyridin-4-ylpiperazin-1-yl)sulfonyl-1H-quinolin-2-one
CID 149346410
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pyrazine
CID 2569467
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 35405989
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
(3-amino-3-oxopropyl) 2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonate
CID 87928102
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
CID 23962785

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22055302) is 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2[nH]1.
What is the InChIKey of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is FXVQQILQWPIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c19-18(20,21)14-10-17(27)24-15-2-1-12(9-13(14)15)30(28,29)26-7-5-25(6-8-26)16-11-22-3-4-23-16/h1-4,9-11H,5-8H2,(H,24,27).
What are the key properties of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 439.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22055302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).