1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol

C20H27N5O3S — CID 16677156

IUPAC1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
SMILESCS(=O)(=O)N1CCCc2cc(C(O)CN3CCN(c4cnccn4)CC3)ccc21
InChIInChI=1S/C20H27N5O3S/c1-29(27,28)25-8-2-3-16-13-17(4-5-18(16)25)19(26)15-23-9-11-24(12-10-23)20-14-21-6-7-22-20/h4-7,13-14,19,26H,2-3,8-12,15H2,1H3
InChIKeyXJTZHQYHVQYXOT-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.04
Rot. Bonds5

About 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol

1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol (PubChem CID 16677156) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
PubChem CID16677156
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
SMILESCS(=O)(=O)N1CCCc2cc(C(O)CN3CCN(c4cnccn4)CC3)ccc21
InChIInChI=1S/C20H27N5O3S/c1-29(27,28)25-8-2-3-16-13-17(4-5-18(16)25)19(26)15-23-9-11-24(12-10-23)20-14-21-6-7-22-20/h4-7,13-14,19,26H,2-3,8-12,15H2,1H3
InChIKeyXJTZHQYHVQYXOT-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol with MolForge

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Related Compounds

1-[2-hydroxy-2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 46954808
1-(3-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol
CID 5183030
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51593377
1-[6-[(1S)-1-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51593609
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 18146902
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
1-[6-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 16677020
1-[(2S)-5-[(1S)-1-hydroxy-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51593339
1-[6-[(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51872122
1-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 46954781
cyclopropyl-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 51588951
1-[6-[(1S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 92553059

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol (CID 16677156) is 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol is CS(=O)(=O)N1CCCc2cc(C(O)CN3CCN(c4cnccn4)CC3)ccc21.
What is the InChIKey of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is XJTZHQYHVQYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-29(27,28)25-8-2-3-16-13-17(4-5-18(16)25)19(26)15-23-9-11-24(12-10-23)20-14-21-6-7-22-20/h4-7,13-14,19,26H,2-3,8-12,15H2,1H3.
What are the key properties of 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol?
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 417.54 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 16677156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).