1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one

C22H23N3O4S — CID 55755455

IUPAC1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)30(28,29)25-13-11-24(12-14-25)22(27)19-15-21(26)23(2)20-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3
InChIKeyWMFLERXENWNJMD-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.99
Rot. Bonds3

About 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one

1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one (PubChem CID 55755455) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
PubChem CID55755455
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)30(28,29)25-13-11-24(12-14-25)22(27)19-15-21(26)23(2)20-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3
InChIKeyWMFLERXENWNJMD-UHFFFAOYSA-N
XLogP1.99
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55754602
1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790694
(2,5-dimethylthiophen-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9368543
4-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55761742
(2,4-dichlorophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4807172
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55791911

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one?
The IUPAC name of 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one (CID 55755455) is 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one?
The canonical SMILES for 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)n(C)c4ccccc34)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one?
The InChIKey is WMFLERXENWNJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-7-9-17(10-8-16)30(28,29)25-13-11-24(12-14-25)22(27)19-15-21(26)23(2)20-6-4-3-5-18(19)20/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one?
1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one has a molecular weight of 425.51 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]quinolin-2-one is sourced from PubChem (CID 55755455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).