3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride

C16H22ClN3O2S — CID 119977178

IUPAC3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NCCC3CCNC3)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12-9-14-3-2-4-15(16(14)18-10-12)22(20,21)19-8-6-13-5-7-17-11-13;/h2-4,9-10,13,17,19H,5-8,11H2,1H3;1H
InChIKeyKDKRHPICTGSXCH-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride

3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride (PubChem CID 119977178) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
PubChem CID119977178
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC Name3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NCCC3CCNC3)cccc2c1.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-12-9-14-3-2-4-15(16(14)18-10-12)22(20,21)19-8-6-13-5-7-17-11-13;/h2-4,9-10,13,17,19H,5-8,11H2,1H3;1H
InChIKeyKDKRHPICTGSXCH-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
2,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977169
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63623443
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
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
methyl 2-(2-pyrrolidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119977382
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 119976613
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride (CID 119977178) is 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride is Cc1cnc2c(S(=O)(=O)NCCC3CCNC3)cccc2c1.Cl.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride?
The InChIKey is KDKRHPICTGSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-12-9-14-3-2-4-15(16(14)18-10-12)22(20,21)19-8-6-13-5-7-17-11-13;/h2-4,9-10,13,17,19H,5-8,11H2,1H3;1H.
What are the key properties of 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride?
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 119977178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).