1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone

C15H21N3O3S — CID 110865632

IUPAC1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C15H21N3O3S/c1-13(19)16-9-11-17(12-10-16)22(20,21)18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyGKCAXVAAOOYUJE-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.85
Rot. Bonds2

About 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone

1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone (PubChem CID 110865632) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
PubChem CID110865632
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C15H21N3O3S/c1-13(19)16-9-11-17(12-10-16)22(20,21)18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyGKCAXVAAOOYUJE-UHFFFAOYSA-N
XLogP0.85
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 58724133
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
CID 110705798
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
N-(4-acetylphenyl)-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110865860
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone (CID 110865632) is 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone?
The InChIKey is GKCAXVAAOOYUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-13(19)16-9-11-17(12-10-16)22(20,21)18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone?
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone has a molecular weight of 323.42 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110865632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).