1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H24N4O3S — CID 46971443

IUPAC1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCCn3ccnc3C)ccc21
InChIInChI=1S/C18H24N4O3S/c1-14-19-9-12-21(14)10-4-8-20-26(24,25)17-6-7-18-16(13-17)5-3-11-22(18)15(2)23/h6-7,9,12-13,20H,3-5,8,10-11H2,1-2H3
InChIKeyXBTDAFPUEYNDPF-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.86
Rot. Bonds6

About 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 46971443) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID46971443
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCCCn3ccnc3C)ccc21
InChIInChI=1S/C18H24N4O3S/c1-14-19-9-12-21(14)10-4-8-20-26(24,25)17-6-7-18-16(13-17)5-3-11-22(18)15(2)23/h6-7,9,12-13,20H,3-5,8,10-11H2,1-2H3
InChIKeyXBTDAFPUEYNDPF-UHFFFAOYSA-N
XLogP1.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 46971443) is 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCCCn3ccnc3C)ccc21.
What is the InChIKey of 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is XBTDAFPUEYNDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14-19-9-12-21(14)10-4-8-20-26(24,25)17-6-7-18-16(13-17)5-3-11-22(18)15(2)23/h6-7,9,12-13,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 46971443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).