7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride

C14H20ClN3O2S — CID 120824315

IUPAC7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1c(C)ccc2cccnc12.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12-5-4-8-16-13(12)14(10)20(18,19)17-9-11(2)15-3;/h4-8,11,15,17H,9H2,1-3H3;1H
InChIKeyPCRKYAGVBIJJJB-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.85
Rot. Bonds5

About 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride

7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride (PubChem CID 120824315) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound Name7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride
PubChem CID120824315
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1c(C)ccc2cccnc12.Cl
InChIInChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12-5-4-8-16-13(12)14(10)20(18,19)17-9-11(2)15-3;/h4-8,11,15,17H,9H2,1-3H3;1H
InChIKeyPCRKYAGVBIJJJB-UHFFFAOYSA-N
XLogP1.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 155948071
2-(4-chlorophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 166209694
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
7-methyl-8-propan-2-ylquinoline
CID 142451043
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride?
The IUPAC name of 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride (CID 120824315) is 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1c(C)ccc2cccnc12.Cl.
What is the InChIKey of 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride?
The InChIKey is PCRKYAGVBIJJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c1-10-6-7-12-5-4-8-16-13(12)14(10)20(18,19)17-9-11(2)15-3;/h4-8,11,15,17H,9H2,1-3H3;1H.
What are the key properties of 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride?
7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 120824315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).