6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline

C12H12Cl2N2OS — CID 22341205

IUPAC6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)=O
InChIInChI=1S/C12H12Cl2N2OS/c1-6(2)11-12(18(3)17)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3
InChIKeyYPXNGWJHLVUQIP-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.80
Rot. Bonds2

About 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline

6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline (PubChem CID 22341205) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline
PubChem CID22341205
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline
SMILESCC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)=O
InChIInChI=1S/C12H12Cl2N2OS/c1-6(2)11-12(18(3)17)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3
InChIKeyYPXNGWJHLVUQIP-UHFFFAOYSA-N
XLogP3.80
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(tert-Butyl)-6,7-dichloro-3-(methylsulfonyl)quinoxalin-2-amine
CID 16007289
3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
6,7-Dichloro-2-methanesulfonyl-3-trifluoromethylquinoxaline
CID 9862981
6,7-Dichloro-2-isopropyl-3-(5-methyl-1,3,4-thiadiazol-2-ylsulfonyl)quinoxaline
CID 9909122
6,7-Dichloro-2-(isopropylthio)-3-(methylsulfonyl)quinoxaline
CID 22341065
6,7-dichloro-N,N-dimethyl-3-(methylsulfonyl)quinoxalin-2-amine
CID 22341109
6,7-Dichloro-2-(methylsulfonyl)-3-propylquinoxaline
CID 22341131
2-(4-(Methylsulfonyl)benzylsulfonyl)-6,7-dichloro-3-isopropylquinoxaline
CID 22341135
2-(2-(1,3-Dioxolan-2-yl)ethylsulfonyl)-6,7-dichloro-3-isopropylquinoxaline
CID 22341180
6,7-Dichloro-2-isopropyl-3-(methylsulfonyl)quinoxaline
CID 22341206
3,6-Dichloro-2-methylsulfinylquinoxaline
CID 118726438
6,7-Dichloro-2,3-dimethylquinoxaline
CID 191258

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline?
The IUPAC name of 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline (CID 22341205) is 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline.
What is the SMILES notation for 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline?
The canonical SMILES for 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline is CC(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)=O.
What is the InChIKey of 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline?
The InChIKey is YPXNGWJHLVUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-6(2)11-12(18(3)17)16-10-5-8(14)7(13)4-9(10)15-11/h4-6H,1-3H3.
What are the key properties of 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline?
6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline has a molecular weight of 303.21 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfinyl-3-propan-2-ylquinoxaline is sourced from PubChem (CID 22341205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).