8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride

C18H26ClN3O2S — CID 119993933

IUPAC8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C)c2ncccc12.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-3-13-21(15-8-11-19-12-9-15)24(22,23)17-7-6-14(2)18-16(17)5-4-10-20-18;/h4-7,10,15,19H,3,8-9,11-13H2,1-2H3;1H
InChIKeyCCFWMIJYDXUBHM-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.12
Rot. Bonds5

About 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride

8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride (PubChem CID 119993933) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
PubChem CID119993933
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(C)c2ncccc12.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-3-13-21(15-8-11-19-12-9-15)24(22,23)17-7-6-14(2)18-16(17)5-4-10-20-18;/h4-7,10,15,19H,3,8-9,11-13H2,1-2H3;1H
InChIKeyCCFWMIJYDXUBHM-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993724
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
CID 60579966
2-[cyclopentyl-(8-methylquinolin-5-yl)sulfonylamino]acetamide
CID 60539907
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618
N-cyclopropyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144651
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
CID 104774085
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119993890
ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
CID 52708492

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride (CID 119993933) is 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(C)c2ncccc12.Cl.
What is the InChIKey of 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride?
The InChIKey is CCFWMIJYDXUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-3-13-21(15-8-11-19-12-9-15)24(22,23)17-7-6-14(2)18-16(17)5-4-10-20-18;/h4-7,10,15,19H,3,8-9,11-13H2,1-2H3;1H.
What are the key properties of 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride?
8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119993933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).