methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate

C17H14N2O2S — CID 94673397

IUPACmethyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1Sc1ccccc1C
InChIInChI=1S/C17H14N2O2S/c1-11-7-3-6-10-14(11)22-16-15(17(20)21-2)18-12-8-4-5-9-13(12)19-16/h3-10H,1-2H3
InChIKeyMFWKGCUTDCTMJQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.88
Rot. Bonds3

About methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate

methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate (PubChem CID 94673397) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate
PubChem CID94673397
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Namemethyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2ccccc2nc1Sc1ccccc1C
InChIInChI=1S/C17H14N2O2S/c1-11-7-3-6-10-14(11)22-16-15(17(20)21-2)18-12-8-4-5-9-13(12)19-16/h3-10H,1-2H3
InChIKeyMFWKGCUTDCTMJQ-UHFFFAOYSA-N
XLogP3.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylquinoxalin-2-yl)sulfanylphenol
CID 55067487
3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
CID 175786309
methyl 2-amino-3-(2-methylphenyl)sulfanylbenzoate
CID 113333426
methyl 2-methylbenzo[g]quinoxaline-3-carboxylate
CID 15545499
methyl 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50765078
methyl 3-hydroxy-6-(2-methylphenyl)pyridine-2-carboxylate
CID 102311394
6-chloro-2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 63379837
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
[2-(2-methylphenyl)sulfanylquinolin-3-yl]methanamine
CID 63809114
methyl 4-(2-hydroxyphenyl)sulfanyl-6-methylpyrimidine-2-carboxylate
CID 66287136
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate?
The IUPAC name of methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate (CID 94673397) is methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate is COC(=O)c1nc2ccccc2nc1Sc1ccccc1C.
What is the InChIKey of methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate?
The InChIKey is MFWKGCUTDCTMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-7-3-6-10-14(11)22-16-15(17(20)21-2)18-12-8-4-5-9-13(12)19-16/h3-10H,1-2H3.
What are the key properties of methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate?
methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylphenyl)sulfanylquinoxaline-2-carboxylate is sourced from PubChem (CID 94673397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).