4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one

C15H16ClN3O3S — CID 154805507

IUPAC4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one
SMILESCc1cc2cc(S(=O)(=O)N3CC(=O)NC(C)C3)ccc2nc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-9-5-11-6-12(3-4-13(11)18-15(9)16)23(21,22)19-7-10(2)17-14(20)8-19/h3-6,10H,7-8H2,1-2H3,(H,17,20)
InChIKeyQGKWDQXEQCDTIO-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.71
Rot. Bonds2

About 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one

4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one (PubChem CID 154805507) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one
PubChem CID154805507
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one
SMILESCc1cc2cc(S(=O)(=O)N3CC(=O)NC(C)C3)ccc2nc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-9-5-11-6-12(3-4-13(11)18-15(9)16)23(21,22)19-7-10(2)17-14(20)8-19/h3-6,10H,7-8H2,1-2H3,(H,17,20)
InChIKeyQGKWDQXEQCDTIO-UHFFFAOYSA-N
XLogP1.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one
CID 126799452
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
CID 39453360
(6R)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-6-methylpiperazin-2-one
CID 131922749
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
6-(3,4-dimethylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 79179415
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
2-chloro-6-(3-methoxypyrrolidin-1-yl)sulfonylquinoline
CID 103532783
6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
1-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one (CID 154805507) is 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one is Cc1cc2cc(S(=O)(=O)N3CC(=O)NC(C)C3)ccc2nc1Cl.
What is the InChIKey of 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one?
The InChIKey is QGKWDQXEQCDTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-9-5-11-6-12(3-4-13(11)18-15(9)16)23(21,22)19-7-10(2)17-14(20)8-19/h3-6,10H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one?
4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one has a molecular weight of 353.83 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylquinolin-6-yl)sulfonyl-6-methylpiperazin-2-one is sourced from PubChem (CID 154805507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).