6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C22H24N6O3S — CID 122342567

IUPAC6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C22H24N6O3S/c1-16-23-20(26-8-2-3-9-26)15-21(24-16)27-10-12-28(13-11-27)32(30,31)18-5-6-19-17(14-18)4-7-22(29)25-19/h2-3,5-6,8-9,14-15H,4,7,10-13H2,1H3,(H,25,29)
InChIKeyNJNUDEIYUZDABE-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.97
Rot. Bonds4

About 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122342567) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID122342567
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc(-n2cccc2)n1
InChIInChI=1S/C22H24N6O3S/c1-16-23-20(26-8-2-3-9-26)15-21(24-16)27-10-12-28(13-11-27)32(30,31)18-5-6-19-17(14-18)4-7-22(29)25-19/h2-3,5-6,8-9,14-15H,4,7,10-13H2,1H3,(H,25,29)
InChIKeyNJNUDEIYUZDABE-UHFFFAOYSA-N
XLogP1.97
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342159
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 26539800
6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122335395
6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122334820
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342549
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122342293
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 122342567) is 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc(-n2cccc2)n1.
What is the InChIKey of 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NJNUDEIYUZDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-16-23-20(26-8-2-3-9-26)15-21(24-16)27-10-12-28(13-11-27)32(30,31)18-5-6-19-17(14-18)4-7-22(29)25-19/h2-3,5-6,8-9,14-15H,4,7,10-13H2,1H3,(H,25,29).
What are the key properties of 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 452.54 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122342567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).