N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide

C18H20N4O4S — CID 128968376

IUPACN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)Cc3cccc4cccnc34)O2)n1
InChIInChI=1S/C18H20N4O4S/c1-12-21-18(26-22-12)16-8-7-15(25-16)10-20-27(23,24)11-14-5-2-4-13-6-3-9-19-17(13)14/h2-6,9,15-16,20H,7-8,10-11H2,1H3/t15-,16+/m1/s1
InChIKeyGKHXFPXTTINLNH-CVEARBPZSA-N
MW388.45 g/mol
LogP2.27
Rot. Bonds6

About N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide

N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide (PubChem CID 128968376) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
PubChem CID128968376
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide
SMILESCc1noc([C@@H]2CC[C@H](CNS(=O)(=O)Cc3cccc4cccnc34)O2)n1
InChIInChI=1S/C18H20N4O4S/c1-12-21-18(26-22-12)16-8-7-15(25-16)10-20-27(23,24)11-14-5-2-4-13-6-3-9-19-17(13)14/h2-6,9,15-16,20H,7-8,10-11H2,1H3/t15-,16+/m1/s1
InChIKeyGKHXFPXTTINLNH-CVEARBPZSA-N
XLogP2.27
TPSA107.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide (CID 128968376) is N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide is Cc1noc([C@@H]2CC[C@H](CNS(=O)(=O)Cc3cccc4cccnc34)O2)n1.
What is the InChIKey of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is GKHXFPXTTINLNH-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12-21-18(26-22-12)16-8-7-15(25-16)10-20-27(23,24)11-14-5-2-4-13-6-3-9-19-17(13)14/h2-6,9,15-16,20H,7-8,10-11H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide?
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 128968376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).