3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide

C15H18N2O2S — CID 113236576

IUPAC3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C15H18N2O2S/c1-3-4-5-9-17-20(18,19)14-8-6-7-13-10-12(2)11-16-15(13)14/h3-4,6-8,10-11,17H,5,9H2,1-2H3/b4-3+
InChIKeyJFHWLUFZPGVVGQ-ONEGZZNKSA-N
MW290.39 g/mol
LogP2.79
Rot. Bonds5

About 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide

3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide (PubChem CID 113236576) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
PubChem CID113236576
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
SMILESC/C=C/CCNS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C15H18N2O2S/c1-3-4-5-9-17-20(18,19)14-8-6-7-13-10-12(2)11-16-15(13)14/h3-4,6-8,10-11,17H,5,9H2,1-2H3/b4-3+
InChIKeyJFHWLUFZPGVVGQ-ONEGZZNKSA-N
XLogP2.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
3-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 126770392
3-methyl-N-(2-pyrrolidin-3-ylethyl)quinoline-8-sulfonamide;hydrochloride
CID 119977178
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide (CID 113236576) is 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide is C/C=C/CCNS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide?
The InChIKey is JFHWLUFZPGVVGQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-4-5-9-17-20(18,19)14-8-6-7-13-10-12(2)11-16-15(13)14/h3-4,6-8,10-11,17H,5,9H2,1-2H3/b4-3+.
What are the key properties of 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide?
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide is sourced from PubChem (CID 113236576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).