(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate

C18H16N2O3 — CID 18199245

IUPAC(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-17(21)13(9-11)18(22)23-10-16-12(2)19-14-5-3-4-6-15(14)20-16/h3-9,21H,10H2,1-2H3
InChIKeyHVYHPBPEOCRMKV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.31
Rot. Bonds3

About (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate

(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate (PubChem CID 18199245) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
PubChem CID18199245
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C18H16N2O3/c1-11-7-8-17(21)13(9-11)18(22)23-10-16-12(2)19-14-5-3-4-6-15(14)20-16/h3-9,21H,10H2,1-2H3
InChIKeyHVYHPBPEOCRMKV-UHFFFAOYSA-N
XLogP3.31
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
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 1-methylindole-3-carboxylate
CID 39965742
(3-methylquinoxalin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 18199693
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(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
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-5-methylbenzoate
CID 17423867
(3-methylquinoxalin-2-yl)methyl 3-(methylsulfamoyl)benzoate
CID 18079287
(5-hydroxy-4-oxopyran-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 135364269

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate (CID 18199245) is (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate is Cc1ccc(O)c(C(=O)OCc2nc3ccccc3nc2C)c1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate?
The InChIKey is HVYHPBPEOCRMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-8-17(21)13(9-11)18(22)23-10-16-12(2)19-14-5-3-4-6-15(14)20-16/h3-9,21H,10H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate?
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate has a molecular weight of 308.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 18199245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).