methyl 4-methoxy-2,7-dimethylindole-1-carboxylate

C13H15NO3 — CID 143138095

IUPACmethyl 4-methoxy-2,7-dimethylindole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2c(OC)ccc(C)c21
InChIInChI=1S/C13H15NO3/c1-8-5-6-11(16-3)10-7-9(2)14(12(8)10)13(15)17-4/h5-7H,1-4H3
InChIKeyCIFQQPZFHISWOP-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.88
Rot. Bonds1

About methyl 4-methoxy-2,7-dimethylindole-1-carboxylate

methyl 4-methoxy-2,7-dimethylindole-1-carboxylate (PubChem CID 143138095) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 4-methoxy-2,7-dimethylindole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,7-dimethylindole-1-carboxylate
PubChem CID143138095
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 4-methoxy-2,7-dimethylindole-1-carboxylate
SMILESCOC(=O)n1c(C)cc2c(OC)ccc(C)c21
InChIInChI=1S/C13H15NO3/c1-8-5-6-11(16-3)10-7-9(2)14(12(8)10)13(15)17-4/h5-7H,1-4H3
InChIKeyCIFQQPZFHISWOP-UHFFFAOYSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
CID 135333368
methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
CID 134573234
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
methyl 7-fluoro-5-methoxy-2-methylindole-1-carboxylate
CID 122519520
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]-2-methylpyrimidine-4-carboxylic acid
CID 145311600
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,7-dimethylindole-1-carboxylate?
The IUPAC name of methyl 4-methoxy-2,7-dimethylindole-1-carboxylate (CID 143138095) is methyl 4-methoxy-2,7-dimethylindole-1-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2,7-dimethylindole-1-carboxylate?
The canonical SMILES for methyl 4-methoxy-2,7-dimethylindole-1-carboxylate is COC(=O)n1c(C)cc2c(OC)ccc(C)c21.
What is the InChIKey of methyl 4-methoxy-2,7-dimethylindole-1-carboxylate?
The InChIKey is CIFQQPZFHISWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-6-11(16-3)10-7-9(2)14(12(8)10)13(15)17-4/h5-7H,1-4H3.
What are the key properties of methyl 4-methoxy-2,7-dimethylindole-1-carboxylate?
methyl 4-methoxy-2,7-dimethylindole-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,7-dimethylindole-1-carboxylate is sourced from PubChem (CID 143138095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).