1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide

C20H16BrFN2OS — CID 134118025

IUPAC1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide
SMILESBr.O=C(CSC1=Nc2ccccc2N2CC=CC=C12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN2OS.BrH/c21-15-10-8-14(9-11-15)19(24)13-25-20-18-7-3-4-12-23(18)17-6-2-1-5-16(17)22-20;/h1-11H,12-13H2;1H
InChIKeyHEOLTFUMVUPQLS-UHFFFAOYSA-N
MW431.33 g/mol
LogP5.32
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide

1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide (PubChem CID 134118025) has the molecular formula C20H16BrFN2OS and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide
PubChem CID134118025
Molecular FormulaC20H16BrFN2OS
Molecular Weight431.33 g/mol
Exact Mass430.02
IUPAC Name1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide
SMILESBr.O=C(CSC1=Nc2ccccc2N2CC=CC=C12)c1ccc(F)cc1
InChIInChI=1S/C20H15FN2OS.BrH/c21-15-10-8-14(9-11-15)19(24)13-25-20-18-7-3-4-12-23(18)17-6-2-1-5-16(17)22-20;/h1-11H,12-13H2;1H
InChIKeyHEOLTFUMVUPQLS-UHFFFAOYSA-N
XLogP5.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide with MolForge

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Related Compounds

2-(4H-3,1-benzothiazin-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone
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1-(4-fluorophenyl)-2-hydroxysulfanylethanone
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1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
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4-[2-(4-fluorophenyl)-2-oxoethyl]-1,4-benzoxazin-3-one
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CID 18570047
5-fluoro-3-phenacylsulfanylindol-2-one
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3-(2-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3416537
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
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5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
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S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
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3-(3,4-dichlorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2809763

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide?
The IUPAC name of 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide (CID 134118025) is 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide?
The canonical SMILES for 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide is Br.O=C(CSC1=Nc2ccccc2N2CC=CC=C12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide?
The InChIKey is HEOLTFUMVUPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS.BrH/c21-15-10-8-14(9-11-15)19(24)13-25-20-18-7-3-4-12-23(18)17-6-2-1-5-16(17)22-20;/h1-11H,12-13H2;1H.
What are the key properties of 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide?
1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide has a molecular weight of 431.33 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(10H-pyrido[1,2-a]quinoxalin-6-ylsulfanyl)ethanone;hydrobromide is sourced from PubChem (CID 134118025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).