7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one

C12H12ClFN2O3S — CID 79291276

IUPAC7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCS(=O)(=O)C2)c2cc(F)c(Cl)cc2N1
InChIInChI=1S/C12H12ClFN2O3S/c13-8-3-10-11(4-9(8)14)16(5-12(17)15-10)7-1-2-20(18,19)6-7/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyHQODHJUTHVFYBO-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.42
Rot. Bonds1

About 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one

7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one (PubChem CID 79291276) has the molecular formula C12H12ClFN2O3S and a molecular weight of 318.76 g/mol. Its IUPAC name is 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one
PubChem CID79291276
Molecular FormulaC12H12ClFN2O3S
Molecular Weight318.76 g/mol
Exact Mass318.02
IUPAC Name7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCS(=O)(=O)C2)c2cc(F)c(Cl)cc2N1
InChIInChI=1S/C12H12ClFN2O3S/c13-8-3-10-11(4-9(8)14)16(5-12(17)15-10)7-1-2-20(18,19)6-7/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyHQODHJUTHVFYBO-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 16281379
6-Chloro-4-(3-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 45271860
6-Chloro-4-(2-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 45272721
2-(4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 17506373
2-(4-chloro-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 17507031
6-Chloro-4-(4-fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 45269344
6-Chloro-4-(3,5-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 45271847
6-Chloro-4-(2,6-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 45272706
N'-(4-chloro-3-fluoro-phenyl)-N-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]oxamide
CID 69895317
2-(4-chloro-2-fluoroanilino)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]acetamide
CID 97228233
N-[2-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethyl]-N-methylethanesulfonamide
CID 122146797
7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-quinoxaline-2,3-dione
CID 67321255

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one (CID 79291276) is 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one is O=C1CN(C2CCS(=O)(=O)C2)c2cc(F)c(Cl)cc2N1.
What is the InChIKey of 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
The InChIKey is HQODHJUTHVFYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S/c13-8-3-10-11(4-9(8)14)16(5-12(17)15-10)7-1-2-20(18,19)6-7/h3-4,7H,1-2,5-6H2,(H,15,17).
What are the key properties of 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one?
7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one has a molecular weight of 318.76 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(1,1-dioxothiolan-3-yl)-6-fluoro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79291276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).