4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one

C14H14ClN3O3S — CID 126799452

IUPAC4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one
SMILESCc1cc2cc(S(=O)(=O)N3CCNC(=O)C3)ccc2nc1Cl
InChIInChI=1S/C14H14ClN3O3S/c1-9-6-10-7-11(2-3-12(10)17-14(9)15)22(20,21)18-5-4-16-13(19)8-18/h2-3,6-7H,4-5,8H2,1H3,(H,16,19)
InChIKeyMIRZVRROHHDIPG-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.32
Rot. Bonds2

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

4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one (PubChem CID 126799452) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one
PubChem CID126799452
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one
SMILESCc1cc2cc(S(=O)(=O)N3CCNC(=O)C3)ccc2nc1Cl
InChIInChI=1S/C14H14ClN3O3S/c1-9-6-10-7-11(2-3-12(10)17-14(9)15)22(20,21)18-5-4-16-13(19)8-18/h2-3,6-7H,4-5,8H2,1H3,(H,16,19)
InChIKeyMIRZVRROHHDIPG-UHFFFAOYSA-N
XLogP1.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.32
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)sulfonyl-6-methylpiperazin-2-one
CID 154805507
4-(4-tert-butylphenyl)sulfonylpiperazin-2-one
CID 2465157
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-[4-(methylamino)phenyl]sulfonylpiperazin-2-one
CID 43154652
4-[3-(1-aminoethyl)phenyl]sulfonylpiperazin-2-one
CID 43106971
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
CID 39453360
4-(3,4-dimethyl-5-nitrophenyl)sulfonylpiperazin-2-one
CID 60681286
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
(2-chlorophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 134062109
N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one (CID 126799452) is 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one is Cc1cc2cc(S(=O)(=O)N3CCNC(=O)C3)ccc2nc1Cl.
What is the InChIKey of 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one?
The InChIKey is MIRZVRROHHDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-9-6-10-7-11(2-3-12(10)17-14(9)15)22(20,21)18-5-4-16-13(19)8-18/h2-3,6-7H,4-5,8H2,1H3,(H,16,19).
What are the key properties of 4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one?
4-(2-chloro-3-methylquinolin-6-yl)sulfonylpiperazin-2-one has a molecular weight of 339.80 g/mol, XLogP of 1.32, 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)sulfonylpiperazin-2-one is sourced from PubChem (CID 126799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).