1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone

C20H19N3O4S — CID 126850668

IUPAC1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H19N3O4S/c1-14(24)15-6-8-17(9-7-15)28(25,26)23-11-10-16(13-23)27-20-12-21-18-4-2-3-5-19(18)22-20/h2-9,12,16H,10-11,13H2,1H3
InChIKeyDJZQCTQKHCUUET-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone

1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 126850668) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
PubChem CID126850668
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H19N3O4S/c1-14(24)15-6-8-17(9-7-15)28(25,26)23-11-10-16(13-23)27-20-12-21-18-4-2-3-5-19(18)22-20/h2-9,12,16H,10-11,13H2,1H3
InChIKeyDJZQCTQKHCUUET-UHFFFAOYSA-N
XLogP2.67
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
CID 90560100
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone (CID 126850668) is 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)C2)cc1.
What is the InChIKey of 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is DJZQCTQKHCUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14(24)15-6-8-17(9-7-15)28(25,26)23-11-10-16(13-23)27-20-12-21-18-4-2-3-5-19(18)22-20/h2-9,12,16H,10-11,13H2,1H3.
What are the key properties of 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone?
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 397.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 126850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).