N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H16N6O4S — CID 121195118

IUPACN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1cc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cn1
InChIInChI=1S/C16H16N6O4S/c1-22-9-11(7-17-22)16-20-15(26-21-16)8-18-27(24,25)12-3-4-13-10(6-12)2-5-14(23)19-13/h3-4,6-7,9,18H,2,5,8H2,1H3,(H,19,23)
InChIKeyVWHLQMUYSKBIIL-UHFFFAOYSA-N
MW388.41 g/mol
LogP0.83
Rot. Bonds5

About N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 121195118) has the molecular formula C16H16N6O4S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID121195118
Molecular FormulaC16H16N6O4S
Molecular Weight388.41 g/mol
Exact Mass388.10
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCn1cc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cn1
InChIInChI=1S/C16H16N6O4S/c1-22-9-11(7-17-22)16-20-15(26-21-16)8-18-27(24,25)12-3-4-13-10(6-12)2-5-14(23)19-13/h3-4,6-7,9,18H,2,5,8H2,1H3,(H,19,23)
InChIKeyVWHLQMUYSKBIIL-UHFFFAOYSA-N
XLogP0.83
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 121195118) is N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cn1cc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)n2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is VWHLQMUYSKBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4S/c1-22-9-11(7-17-22)16-20-15(26-21-16)8-18-27(24,25)12-3-4-13-10(6-12)2-5-14(23)19-13/h3-4,6-7,9,18H,2,5,8H2,1H3,(H,19,23).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 388.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 121195118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).