1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline

C14H21N3O2S — CID 110865622

IUPAC1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C14H21N3O2S/c1-15-9-11-16(12-10-15)20(18,19)17-8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyHPEWHOMLQROUTP-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.93
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline

1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 110865622) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID110865622
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1
InChIInChI=1S/C14H21N3O2S/c1-15-9-11-16(12-10-15)20(18,19)17-8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7H,4,6,8-12H2,1H3
InChIKeyHPEWHOMLQROUTP-UHFFFAOYSA-N
XLogP0.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
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-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline (CID 110865622) is 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline is CN1CCN(S(=O)(=O)N2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is HPEWHOMLQROUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-15-9-11-16(12-10-15)20(18,19)17-8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7H,4,6,8-12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 295.41 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110865622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).