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

C18H16N2O2 — CID 18079246

IUPAC(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1nc2ccccc2nc1C
InChIInChI=1S/C18H16N2O2/c1-12-7-3-4-8-14(12)18(21)22-11-17-13(2)19-15-9-5-6-10-16(15)20-17/h3-10H,11H2,1-2H3
InChIKeyAGXVSNPAYBARBO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.60
Rot. Bonds3

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

(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate (PubChem CID 18079246) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
PubChem CID18079246
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCc1nc2ccccc2nc1C
InChIInChI=1S/C18H16N2O2/c1-12-7-3-4-8-14(12)18(21)22-11-17-13(2)19-15-9-5-6-10-16(15)20-17/h3-10H,11H2,1-2H3
InChIKeyAGXVSNPAYBARBO-UHFFFAOYSA-N
XLogP3.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate 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

bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
(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
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methylbenzoate
CID 16588766
(3-methylquinoxalin-2-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 18192272
(3-methylquinoxalin-2-yl)methyl 5-nitrothiophene-2-carboxylate
CID 18079292
4-O-methyl 2-O-[(3-methylquinoxalin-2-yl)methyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 47004102

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate (CID 18079246) is (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate is Cc1ccccc1C(=O)OCc1nc2ccccc2nc1C.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate?
The InChIKey is AGXVSNPAYBARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-7-3-4-8-14(12)18(21)22-11-17-13(2)19-15-9-5-6-10-16(15)20-17/h3-10H,11H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate?
(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 2-methylbenzoate is sourced from PubChem (CID 18079246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).