methyl 4,7-dimethoxy-1-methylindole-2-carboxylate

C13H15NO4 — CID 4777665

IUPACmethyl 4,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)ccc(OC)c2n1C
InChIInChI=1S/C13H15NO4/c1-14-9(13(15)18-4)7-8-10(16-2)5-6-11(17-3)12(8)14/h5-7H,1-4H3
InChIKeyJGHWIOCBWKECAJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.98
Rot. Bonds3

About methyl 4,7-dimethoxy-1-methylindole-2-carboxylate

methyl 4,7-dimethoxy-1-methylindole-2-carboxylate (PubChem CID 4777665) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 4,7-dimethoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,7-dimethoxy-1-methylindole-2-carboxylate
PubChem CID4777665
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 4,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(OC)ccc(OC)c2n1C
InChIInChI=1S/C13H15NO4/c1-14-9(13(15)18-4)7-8-10(16-2)5-6-11(17-3)12(8)14/h5-7H,1-4H3
InChIKeyJGHWIOCBWKECAJ-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
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
CID 141320002
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
methyl 5-methoxy-1-methyl-4-phenylmethoxyindole-2-carboxylate
CID 10404037
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974

Frequently Asked Questions

What is the IUPAC name of methyl 4,7-dimethoxy-1-methylindole-2-carboxylate?
The IUPAC name of methyl 4,7-dimethoxy-1-methylindole-2-carboxylate (CID 4777665) is methyl 4,7-dimethoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 4,7-dimethoxy-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 4,7-dimethoxy-1-methylindole-2-carboxylate is COC(=O)c1cc2c(OC)ccc(OC)c2n1C.
What is the InChIKey of methyl 4,7-dimethoxy-1-methylindole-2-carboxylate?
The InChIKey is JGHWIOCBWKECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-9(13(15)18-4)7-8-10(16-2)5-6-11(17-3)12(8)14/h5-7H,1-4H3.
What are the key properties of methyl 4,7-dimethoxy-1-methylindole-2-carboxylate?
methyl 4,7-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 4,7-dimethoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 4777665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).