2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride

C20H22ClN3O2S — CID 174440584

IUPAC2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC1CNCCN1c1cccc2ccc(S(=O)(=O)c3ccccc3)nc12.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-15-14-21-12-13-23(15)18-9-5-6-16-10-11-19(22-20(16)18)26(24,25)17-7-3-2-4-8-17;/h2-11,15,21H,12-14H2,1H3;1H
InChIKeyLHCXTURNGHLSGA-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.29
Rot. Bonds3

About 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride

2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride (PubChem CID 174440584) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride
PubChem CID174440584
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride
SMILESCC1CNCCN1c1cccc2ccc(S(=O)(=O)c3ccccc3)nc12.Cl
InChIInChI=1S/C20H21N3O2S.ClH/c1-15-14-21-12-13-23(15)18-9-5-6-16-10-11-19(22-20(16)18)26(24,25)17-7-3-2-4-8-17;/h2-11,15,21H,12-14H2,1H3;1H
InChIKeyLHCXTURNGHLSGA-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Intepirdine
CID 11256720
Gsk-215083 C-11
CID 11696674
CID 10172764
CID 10172764
N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 2848041
Cambridge id 5175151
CID 739451
5-Methyl-pyridine-2-sulfonic acid quinolin-8-ylamide
CID 68183382
N-[1-[4-(Methylsulfonyl)benzyl]piperidin-3-yl]isoquinolin-5-amine
CID 25009707
4-Amino-N-(2-methyl-8-quinolinyl)benzenesulfonamide
CID 102171410
3-[1-(2-Fluorophenyl)sulfonylethyl]-8-(4-methylpiperazin-1-yl)quinoline
CID 168269680
5-[5-(diethylamino)pentan-2-ylamino]-N-(6-fluoroquinolin-8-yl)pyridine-2-sulfonamide
CID 172470689
8-(4-Methyl-piperazin-1-yl)-3phenylsulfonylquinoline
CID 9929162
Dansyl-8-aminoquinoline
CID 129833262

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride?
The IUPAC name of 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride (CID 174440584) is 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride.
What is the SMILES notation for 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride?
The canonical SMILES for 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride is CC1CNCCN1c1cccc2ccc(S(=O)(=O)c3ccccc3)nc12.Cl.
What is the InChIKey of 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride?
The InChIKey is LHCXTURNGHLSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.ClH/c1-15-14-21-12-13-23(15)18-9-5-6-16-10-11-19(22-20(16)18)26(24,25)17-7-3-2-4-8-17;/h2-11,15,21H,12-14H2,1H3;1H.
What are the key properties of 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride?
2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline;hydrochloride is sourced from PubChem (CID 174440584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).