(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate

C21H17FN4O2 — CID 75404250

IUPAC(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
SMILESCc1nc2cc(F)cc(C(=O)OCc3nc4ccccc4nc3C)c2nc1C
InChIInChI=1S/C21H17FN4O2/c1-11-12(2)25-20-15(8-14(22)9-18(20)23-11)21(27)28-10-19-13(3)24-16-6-4-5-7-17(16)26-19/h4-9H,10H2,1-3H3
InChIKeyQYJSUVVNGZFLMY-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.99
Rot. Bonds3

About (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate

(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate (PubChem CID 75404250) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
PubChem CID75404250
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
SMILESCc1nc2cc(F)cc(C(=O)OCc3nc4ccccc4nc3C)c2nc1C
InChIInChI=1S/C21H17FN4O2/c1-11-12(2)25-20-15(8-14(22)9-18(20)23-11)21(27)28-10-19-13(3)24-16-6-4-5-7-17(16)26-19/h4-9H,10H2,1-3H3
InChIKeyQYJSUVVNGZFLMY-UHFFFAOYSA-N
XLogP3.99
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
7-fluoro-2,3-dimethyl-N-phenylmethoxyquinoxaline-5-carboxamide
CID 51086110
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199693
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
(3-methylquinoxalin-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 18192272
(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
CID 18079287
7-fluoro-2,3-dimethyl-N-[3-(3-methylphenoxy)propyl]quinoxaline-5-carboxamide
CID 55823828

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate (CID 75404250) is (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate is Cc1nc2cc(F)cc(C(=O)OCc3nc4ccccc4nc3C)c2nc1C.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate?
The InChIKey is QYJSUVVNGZFLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-11-12(2)25-20-15(8-14(22)9-18(20)23-11)21(27)28-10-19-13(3)24-16-6-4-5-7-17(16)26-19/h4-9H,10H2,1-3H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate?
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate has a molecular weight of 376.39 g/mol, XLogP of 3.99, 3 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 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate is sourced from PubChem (CID 75404250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).