3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide

C17H24N4O2S — CID 53498011

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCN3CCN(C)CC3)cccc2c1
InChIInChI=1S/C17H24N4O2S/c1-14-12-15-4-3-5-16(17(15)18-13-14)24(22,23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12-13,19H,6-11H2,1-2H3
InChIKeyXLRGJWQEIGGPGY-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.07
Rot. Bonds5

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 53498011) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
PubChem CID53498011
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCCN3CCN(C)CC3)cccc2c1
InChIInChI=1S/C17H24N4O2S/c1-14-12-15-4-3-5-16(17(15)18-13-14)24(22,23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12-13,19H,6-11H2,1-2H3
InChIKeyXLRGJWQEIGGPGY-UHFFFAOYSA-N
XLogP1.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924476
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide (CID 53498011) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCCN3CCN(C)CC3)cccc2c1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is XLRGJWQEIGGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-14-12-15-4-3-5-16(17(15)18-13-14)24(22,23)19-6-7-21-10-8-20(2)9-11-21/h3-5,12-13,19H,6-11H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 53498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).