(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone

C24H25N3O3S — CID 73419376

IUPAC(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)C=Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H25N3O3S/c1-18-8-9-23-21(16-18)22(17-19(2)25-23)24(28)26-11-13-27(14-12-26)31(29,30)15-10-20-6-4-3-5-7-20/h3-10,15-17H,11-14H2,1-2H3
InChIKeyIXSURHVUAXXNDR-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.61
Rot. Bonds4

About (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone

(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone (PubChem CID 73419376) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
PubChem CID73419376
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)C=Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H25N3O3S/c1-18-8-9-23-21(16-18)22(17-19(2)25-23)24(28)26-11-13-27(14-12-26)31(29,30)15-10-20-6-4-3-5-7-20/h3-10,15-17H,11-14H2,1-2H3
InChIKeyIXSURHVUAXXNDR-UHFFFAOYSA-N
XLogP3.61
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55884111
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 17454186
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
(6-methyl-2-phenylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42749683
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 8925154
(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 32617049
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
2-(2,4-dimethylphenyl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 75460100
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55755585
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33222733
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone (CID 73419376) is (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone is Cc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)C=Cc4ccccc4)CC3)c2c1.
What is the InChIKey of (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is IXSURHVUAXXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18-8-9-23-21(16-18)22(17-19(2)25-23)24(28)26-11-13-27(14-12-26)31(29,30)15-10-20-6-4-3-5-7-20/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone?
(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 435.55 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 73419376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).