N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride

C15H22ClN3O3S — CID 120717516

IUPACN-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc2cc(C)cnc12.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-12-10-13-4-3-5-14(15(13)17-11-12)22(19,20)18-7-6-16-8-9-21-2;/h3-5,10-11,16,18H,6-9H2,1-2H3;1H
InChIKeyXEMGZLIDHXQLQG-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.48
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride

N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride (PubChem CID 120717516) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
PubChem CID120717516
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cccc2cc(C)cnc12.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-12-10-13-4-3-5-14(15(13)17-11-12)22(19,20)18-7-6-16-8-9-21-2;/h3-5,10-11,16,18H,6-9H2,1-2H3;1H
InChIKeyXEMGZLIDHXQLQG-UHFFFAOYSA-N
XLogP1.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride (CID 120717516) is N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cccc2cc(C)cnc12.Cl.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is XEMGZLIDHXQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-12-10-13-4-3-5-14(15(13)17-11-12)22(19,20)18-7-6-16-8-9-21-2;/h3-5,10-11,16,18H,6-9H2,1-2H3;1H.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride?
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 120717516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).