methyl 5,7-dimethoxy-1-methylindole-2-carboxylate

C13H15NO4 — CID 102511974

IUPACmethyl 5,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)cc(OC)c2n1C
InChIInChI=1S/C13H15NO4/c1-14-10(13(15)18-4)6-8-5-9(16-2)7-11(17-3)12(8)14/h5-7H,1-4H3
InChIKeyDUKRWIZOCRYZDF-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.98
Rot. Bonds3

About methyl 5,7-dimethoxy-1-methylindole-2-carboxylate

methyl 5,7-dimethoxy-1-methylindole-2-carboxylate (PubChem CID 102511974) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 5,7-dimethoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-dimethoxy-1-methylindole-2-carboxylate
PubChem CID102511974
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 5,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2cc(OC)cc(OC)c2n1C
InChIInChI=1S/C13H15NO4/c1-14-10(13(15)18-4)6-8-5-9(16-2)7-11(17-3)12(8)14/h5-7H,1-4H3
InChIKeyDUKRWIZOCRYZDF-UHFFFAOYSA-N
XLogP1.98
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate
CID 145007777
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
dimethyl 1-(4-methoxyphenyl)pyrrole-2,4-dicarboxylate
CID 102205487
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
methyl 2,7-dimethoxy-9-methylcarbazole-3-carboxylate
CID 101049424
5,6,7-trimethoxy-1-methylindole-2-carbonyl chloride
CID 10802949
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 67366332

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dimethoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 5,7-dimethoxy-1-methylindole-2-carboxylate (CID 102511974) is methyl 5,7-dimethoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 5,7-dimethoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 5,7-dimethoxy-1-methylindole-2-carboxylate is COC(=O)c1cc2cc(OC)cc(OC)c2n1C.
What is the InChIKey of methyl 5,7-dimethoxy-1-methylindole-2-carboxylate?
The InChIKey is DUKRWIZOCRYZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-10(13(15)18-4)6-8-5-9(16-2)7-11(17-3)12(8)14/h5-7H,1-4H3.
What are the key properties of methyl 5,7-dimethoxy-1-methylindole-2-carboxylate?
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dimethoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 102511974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).