3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one

C20H19N3O3S — CID 126776936

IUPAC3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)Cc2cccc3cccnc23)C1c1ccccc1
InChIInChI=1S/C20H19N3O3S/c24-20-19(16-6-2-1-3-7-16)23(13-12-22-20)27(25,26)14-17-9-4-8-15-10-5-11-21-18(15)17/h1-11,19H,12-14H2,(H,22,24)
InChIKeyZXIZSCUIOPLWIT-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.24
Rot. Bonds4

About 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one

3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one (PubChem CID 126776936) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
PubChem CID126776936
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
SMILESO=C1NCCN(S(=O)(=O)Cc2cccc3cccnc23)C1c1ccccc1
InChIInChI=1S/C20H19N3O3S/c24-20-19(16-6-2-1-3-7-16)23(13-12-22-20)27(25,26)14-17-9-4-8-15-10-5-11-21-18(15)17/h1-11,19H,12-14H2,(H,22,24)
InChIKeyZXIZSCUIOPLWIT-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropyl)-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one
CID 126776547
8-(piperazin-1-ylsulfonylmethyl)quinoline
CID 119961854
8-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]quinoline
CID 124695192
3-phenyl-4-(3-phenylpropylsulfonyl)piperazin-2-one
CID 110419968
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline
CID 167796154
3-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfonyl]piperazin-2-one
CID 110657643
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
N-piperidin-4-yl-1-quinolin-8-ylmethanesulfonamide;hydrochloride
CID 119960786
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
3-(4-methoxyphenyl)-4-propylsulfonylpiperazin-2-one
CID 110644975

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one?
The IUPAC name of 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one (CID 126776936) is 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one?
The canonical SMILES for 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one is O=C1NCCN(S(=O)(=O)Cc2cccc3cccnc23)C1c1ccccc1.
What is the InChIKey of 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one?
The InChIKey is ZXIZSCUIOPLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20-19(16-6-2-1-3-7-16)23(13-12-22-20)27(25,26)14-17-9-4-8-15-10-5-11-21-18(15)17/h1-11,19H,12-14H2,(H,22,24).
What are the key properties of 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one?
3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one has a molecular weight of 381.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(quinolin-8-ylmethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 126776936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).