2-chloro-6-methoxy-3-methylsulfinylquinoxaline

C10H9ClN2O2S — CID 118726437

IUPAC2-chloro-6-methoxy-3-methylsulfinylquinoxaline
SMILESCOc1ccc2nc(Cl)c(S(C)=O)nc2c1
InChIInChI=1S/C10H9ClN2O2S/c1-15-6-3-4-7-8(5-6)13-10(16(2)14)9(11)12-7/h3-5H,1-2H3
InChIKeyVKWVAOWRZWIVLH-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.03
Rot. Bonds2

About 2-chloro-6-methoxy-3-methylsulfinylquinoxaline

2-chloro-6-methoxy-3-methylsulfinylquinoxaline (PubChem CID 118726437) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-methylsulfinylquinoxaline.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-methylsulfinylquinoxaline
PubChem CID118726437
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name2-chloro-6-methoxy-3-methylsulfinylquinoxaline
SMILESCOc1ccc2nc(Cl)c(S(C)=O)nc2c1
InChIInChI=1S/C10H9ClN2O2S/c1-15-6-3-4-7-8(5-6)13-10(16(2)14)9(11)12-7/h3-5H,1-2H3
InChIKeyVKWVAOWRZWIVLH-UHFFFAOYSA-N
XLogP2.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-methylsulfinylquinoxaline?
The IUPAC name of 2-chloro-6-methoxy-3-methylsulfinylquinoxaline (CID 118726437) is 2-chloro-6-methoxy-3-methylsulfinylquinoxaline.
What is the SMILES notation for 2-chloro-6-methoxy-3-methylsulfinylquinoxaline?
The canonical SMILES for 2-chloro-6-methoxy-3-methylsulfinylquinoxaline is COc1ccc2nc(Cl)c(S(C)=O)nc2c1.
What is the InChIKey of 2-chloro-6-methoxy-3-methylsulfinylquinoxaline?
The InChIKey is VKWVAOWRZWIVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-15-6-3-4-7-8(5-6)13-10(16(2)14)9(11)12-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-methoxy-3-methylsulfinylquinoxaline?
2-chloro-6-methoxy-3-methylsulfinylquinoxaline has a molecular weight of 256.71 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-methylsulfinylquinoxaline is sourced from PubChem (CID 118726437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).