N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide

C17H16N4O4S — CID 126938656

IUPACN-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide
SMILESO=c1cccnn1C1COCC1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N4O4S/c22-16-7-3-9-19-21(16)14-11-25-10-13(14)20-26(23,24)15-6-1-4-12-5-2-8-18-17(12)15/h1-9,13-14,20H,10-11H2
InChIKeyWDRATOAYUUMGSA-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.71
Rot. Bonds4

About N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide

N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide (PubChem CID 126938656) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide
PubChem CID126938656
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide
SMILESO=c1cccnn1C1COCC1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N4O4S/c22-16-7-3-9-19-21(16)14-11-25-10-13(14)20-26(23,24)15-6-1-4-12-5-2-8-18-17(12)15/h1-9,13-14,20H,10-11H2
InChIKeyWDRATOAYUUMGSA-UHFFFAOYSA-N
XLogP0.71
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptylquinoline-8-sulfonamide
CID 3244108
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938713
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
3,5-dimethyl-N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-1H-pyrazole-4-sulfonamide
CID 126940460
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 126935356
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 22772493
N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide
CID 91796213
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
CID 90625175
N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
CID 91421233

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide (CID 126938656) is N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide is O=c1cccnn1C1COCC1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide?
The InChIKey is WDRATOAYUUMGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-16-7-3-9-19-21(16)14-11-25-10-13(14)20-26(23,24)15-6-1-4-12-5-2-8-18-17(12)15/h1-9,13-14,20H,10-11H2.
What are the key properties of N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide?
N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 126938656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).