2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline

C15H11ClN2OS — CID 2777722

IUPAC2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1ccc(Sc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyMJQQZGLVLLEYSG-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline

2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline (PubChem CID 2777722) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
PubChem CID2777722
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1ccc(Sc2nc3ccccc3nc2Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyMJQQZGLVLLEYSG-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine
CID 62125614
3-(3-methoxyphenyl)sulfanylquinoxalin-2-amine
CID 102988705
2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
CID 802094
N-(4-bromophenyl)-3-(4-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70163412
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
2-(4-methoxyphenyl)sulfanyl-3,1-benzoxazin-4-one
CID 155188011
2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
CID 88783098
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
2-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 71597146
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline?
The IUPAC name of 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline (CID 2777722) is 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline is COc1ccc(Sc2nc3ccccc3nc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline?
The InChIKey is MJQQZGLVLLEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-19-10-6-8-11(9-7-10)20-15-14(16)17-12-4-2-3-5-13(12)18-15/h2-9H,1H3.
What are the key properties of 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline?
2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline has a molecular weight of 302.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-methoxyphenyl)sulfanylquinoxaline is sourced from PubChem (CID 2777722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).