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

C16H18N4O4S — CID 131898361

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCc1noc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)n1
InChIInChI=1S/C16H18N4O4S/c1-4-14-18-16(24-19-14)9-20(3)25(22,23)11-5-6-13-12(8-11)10(2)7-15(21)17-13/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyLACJILGZAKYRAX-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.60
Rot. Bonds5

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 131898361) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID131898361
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCc1noc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)n1
InChIInChI=1S/C16H18N4O4S/c1-4-14-18-16(24-19-14)9-20(3)25(22,23)11-5-6-13-12(8-11)10(2)7-15(21)17-13/h5-8H,4,9H2,1-3H3,(H,17,21)
InChIKeyLACJILGZAKYRAX-UHFFFAOYSA-N
XLogP1.60
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 131898361) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is CCc1noc(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is LACJILGZAKYRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-14-18-16(24-19-14)9-20(3)25(22,23)11-5-6-13-12(8-11)10(2)7-15(21)17-13/h5-8H,4,9H2,1-3H3,(H,17,21).
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 362.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 131898361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).