formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

C22H24N4O5S — CID 157455881

IUPACformic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)n3ccc4c(N5CCNCC5)cccc43)ccc2N1.O=CO
InChIInChI=1S/C21H22N4O3S.CH2O2/c26-21-7-4-15-14-16(5-6-18(15)23-21)29(27,28)25-11-8-17-19(2-1-3-20(17)25)24-12-9-22-10-13-24;2-1-3/h1-3,5-6,8,11,14,22H,4,7,9-10,12-13H2,(H,23,26);1H,(H,2,3)
InChIKeyBTITWLGUISOYBS-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.87
Rot. Bonds3

About formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one

formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 157455881) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Nameformic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID157455881
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Nameformic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)n3ccc4c(N5CCNCC5)cccc43)ccc2N1.O=CO
InChIInChI=1S/C21H22N4O3S.CH2O2/c26-21-7-4-15-14-16(5-6-18(15)23-21)29(27,28)25-11-8-17-19(2-1-3-20(17)25)24-12-9-22-10-13-24;2-1-3/h1-3,5-6,8,11,14,22H,4,7,9-10,12-13H2,(H,23,26);1H,(H,2,3)
InChIKeyBTITWLGUISOYBS-UHFFFAOYSA-N
XLogP1.87
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
1-(4-nitrophenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
CID 10137084
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
1-(2,4-dichlorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10158464
7-(4-chloroindol-1-yl)sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10155466
formic acid;1-[2-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-4-piperazin-1-ylindole
CID 68740770
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 141089036
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
2-[1-(benzenesulfonyl)indol-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole
CID 22015312
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50968398

Frequently Asked Questions

What is the IUPAC name of formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 157455881) is formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)n3ccc4c(N5CCNCC5)cccc43)ccc2N1.O=CO.
What is the InChIKey of formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BTITWLGUISOYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.CH2O2/c26-21-7-4-15-14-16(5-6-18(15)23-21)29(27,28)25-11-8-17-19(2-1-3-20(17)25)24-12-9-22-10-13-24;2-1-3/h1-3,5-6,8,11,14,22H,4,7,9-10,12-13H2,(H,23,26);1H,(H,2,3).
What are the key properties of formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one?
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 456.52 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 157455881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).