3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one

C21H19FN4O2S — CID 142239755

IUPAC3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1[nH]c2ccc(S(=O)N3CCNCC3)cc2c1F
InChIInChI=1S/C21H19FN4O2S/c22-19-15-12-14(29(28)26-9-7-23-8-10-26)5-6-18(15)24-20(19)16-11-13-3-1-2-4-17(13)25-21(16)27/h1-6,11-12,23-24H,7-10H2,(H,25,27)
InChIKeyFOCRMLSAFMURIF-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.74
Rot. Bonds3

About 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one

3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one (PubChem CID 142239755) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one
PubChem CID142239755
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1[nH]c2ccc(S(=O)N3CCNCC3)cc2c1F
InChIInChI=1S/C21H19FN4O2S/c22-19-15-12-14(29(28)26-9-7-23-8-10-26)5-6-18(15)24-20(19)16-11-13-3-1-2-4-17(13)25-21(16)27/h1-6,11-12,23-24H,7-10H2,(H,25,27)
InChIKeyFOCRMLSAFMURIF-UHFFFAOYSA-N
XLogP2.74
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one
CID 178144829
3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
CID 10178750
2-[5-(azetidin-1-ylsulfinyl)-2-(cyclopenten-1-yl)phenyl]-1H-indole
CID 168940731
3-(18F)fluoro-1H-quinolin-2-one
CID 158117840
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
tert-butyl 5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)-1H-indole-3-carboxylate
CID 70113985
3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one
CID 163309783
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
3-piperazin-1-yl-2H-isoquinolin-1-one
CID 54939199
2-(2-piperazin-1-ylpropan-2-yl)-1H-indole
CID 116995174
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one (CID 142239755) is 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1[nH]c2ccc(S(=O)N3CCNCC3)cc2c1F.
What is the InChIKey of 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one?
The InChIKey is FOCRMLSAFMURIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c22-19-15-12-14(29(28)26-9-7-23-8-10-26)5-6-18(15)24-20(19)16-11-13-3-1-2-4-17(13)25-21(16)27/h1-6,11-12,23-24H,7-10H2,(H,25,27).
What are the key properties of 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one?
3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one has a molecular weight of 410.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-piperazin-1-ylsulfinyl-1H-indol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 142239755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).