(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

C17H15N3O2S — CID 18079281

IUPAC(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCc1nc2ccccc2nc1C
InChIInChI=1S/C17H15N3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-22-17(21)12-6-5-9-18-16(12)23-2/h3-9H,10H2,1-2H3
InChIKeyQJXWDLJBAPXHFQ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.41
Rot. Bonds4

About (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 18079281) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
PubChem CID18079281
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCc1nc2ccccc2nc1C
InChIInChI=1S/C17H15N3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-22-17(21)12-6-5-9-18-16(12)23-2/h3-9H,10H2,1-2H3
InChIKeyQJXWDLJBAPXHFQ-UHFFFAOYSA-N
XLogP3.41
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate 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

(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
[3-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 3382488
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 4781705
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
phenanthridin-6-ylmethyl 2-chloropyridine-3-carboxylate
CID 8834090
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765691
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 16529596
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate (CID 18079281) is (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is CSc1ncccc1C(=O)OCc1nc2ccccc2nc1C.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is QJXWDLJBAPXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-15(20-14-8-4-3-7-13(14)19-11)10-22-17(21)12-6-5-9-18-16(12)23-2/h3-9H,10H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate?
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 18079281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).