2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone

C17H13FN2OS — CID 146000101

IUPAC2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
SMILESCc1nc2ccccc2nc1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11-17(20-15-5-3-2-4-14(15)19-11)16(21)10-22-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3
InChIKeyVUOWQYHGXLNJFU-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone (PubChem CID 146000101) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
PubChem CID146000101
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
SMILESCc1nc2ccccc2nc1C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H13FN2OS/c1-11-17(20-15-5-3-2-4-14(15)19-11)16(21)10-22-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3
InChIKeyVUOWQYHGXLNJFU-UHFFFAOYSA-N
XLogP4.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenazinone
CID 53433128
1-[1-Oxido-3-(propylsulfonylmethyl)quinoxalin-1-ium-2-yl]ethanone
CID 44269195
1-[3-(Methylsulfinylmethyl)-1-oxidoquinoxalin-1-ium-2-yl]ethanone
CID 44269244
1-[3-(Methylsulfonylmethyl)-1-oxidoquinoxalin-1-ium-2-yl]ethanone
CID 44269253
1-[3-(Ethylsulfonylmethyl)-1-oxidoquinoxalin-1-ium-2-yl]ethanone
CID 44269255
3-(4-Fluorophenyl)-1-(3-methylquinoxalin-2-yl)prop-2-en-1-one
CID 71589084
3-(7-Fluoro-3-methylquinoxalin-2-yl)-3-oxopropanenitrile
CID 67395629
1-(3-Methylquinoxalin-2-YL)ethanone
CID 12405632
1-(6,7-Difluoro-3-methylquinoxalin-2-yl)ethanone
CID 1509302
2-(4-fluoro-N-methyl-anilino)-1-(3-methylquinoxalin-2-yl)ethanone
CID 145999857
1-(8-Fluoro-3-methylquinoxalin-2-yl)ethanone
CID 71278196
2-fluoro-2H-phenazin-1-one
CID 141029994

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone (CID 146000101) is 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone is Cc1nc2ccccc2nc1C(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone?
The InChIKey is VUOWQYHGXLNJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-17(20-15-5-3-2-4-14(15)19-11)16(21)10-22-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone has a molecular weight of 312.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone is sourced from PubChem (CID 146000101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).