1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

C21H25N3O3S — CID 110383201

IUPAC1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-4-3-5-18(14-16)23-10-12-24(13-11-23)28(26,27)19-7-8-20-17(15-19)6-9-21(25)22(20)2/h3-5,7-8,14-15H,6,9-13H2,1-2H3
InChIKeyWBJJOHUQAHONSS-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.41
Rot. Bonds3

About 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 110383201) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
PubChem CID110383201
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)c1
InChIInChI=1S/C21H25N3O3S/c1-16-4-3-5-18(14-16)23-10-12-24(13-11-23)28(26,27)19-7-8-20-17(15-19)6-9-21(25)22(20)2/h3-5,7-8,14-15H,6,9-13H2,1-2H3
InChIKeyWBJJOHUQAHONSS-UHFFFAOYSA-N
XLogP2.41
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 22695534
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 95756856
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methyl-3,4-dihydroquinolin-2-one
CID 71691319
5-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640995
5-[4-(4-ethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
CID 113075964
N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383266
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 110424462
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078
1-(3,4-dihydronaphthalen-2-ylsulfonyl)-4-(3-methylphenyl)piperazine
CID 16572233

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (CID 110383201) is 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)c1.
What is the InChIKey of 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The InChIKey is WBJJOHUQAHONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-4-3-5-18(14-16)23-10-12-24(13-11-23)28(26,27)19-7-8-20-17(15-19)6-9-21(25)22(20)2/h3-5,7-8,14-15H,6,9-13H2,1-2H3.
What are the key properties of 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 399.52 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 110383201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).