methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate

C13H13ClN2O2 — CID 59894472

IUPACmethyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2nc(C)c(Cl)nc12
InChIInChI=1S/C13H13ClN2O2/c1-6-5-9-11(16-12(14)8(3)15-9)10(7(6)2)13(17)18-4/h5H,1-4H3
InChIKeyPGPARAVSKKHMDK-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.00
Rot. Bonds1

About methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate

methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate (PubChem CID 59894472) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
PubChem CID59894472
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Namemethyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2nc(C)c(Cl)nc12
InChIInChI=1S/C13H13ClN2O2/c1-6-5-9-11(16-12(14)8(3)15-9)10(7(6)2)13(17)18-4/h5H,1-4H3
InChIKeyPGPARAVSKKHMDK-UHFFFAOYSA-N
XLogP3.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 4,6-dichloro-2-[(S)-methylsulfinyl]pyrimidine-5-carboxylate
CID 97114154
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 2-chloro-6-methyl-4-pentan-3-yloxypyridine-3-carboxylate
CID 24806871
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 2-chloro-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 130074412

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate?
The IUPAC name of methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate (CID 59894472) is methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate is COC(=O)c1c(C)c(C)cc2nc(C)c(Cl)nc12.
What is the InChIKey of methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate?
The InChIKey is PGPARAVSKKHMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-6-5-9-11(16-12(14)8(3)15-9)10(7(6)2)13(17)18-4/h5H,1-4H3.
What are the key properties of methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate?
methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate has a molecular weight of 264.71 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2,6,7-trimethylquinoxaline-5-carboxylate is sourced from PubChem (CID 59894472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).