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

C12H12NO4- — CID 6953965

IUPAC4,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOc1ccc(OC)c2c1cc(C(=O)[O-])n2C
InChIInChI=1S/C12H13NO4/c1-13-8(12(14)15)6-7-9(16-2)4-5-10(17-3)11(7)13/h4-6H,1-3H3,(H,14,15)/p-1
InChIKeyCEUWDWAXFLFQHR-UHFFFAOYSA-M
MW234.23 g/mol
LogP0.56
Rot. Bonds3

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

4,7-dimethoxy-1-methylindole-2-carboxylate (PubChem CID 6953965) has the molecular formula C12H12NO4- and a molecular weight of 234.23 g/mol. Its IUPAC name is 4,7-dimethoxy-1-methylindole-2-carboxylate.

Molecular Properties

Compound Name4,7-dimethoxy-1-methylindole-2-carboxylate
PubChem CID6953965
Molecular FormulaC12H12NO4-
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4,7-dimethoxy-1-methylindole-2-carboxylate
SMILESCOc1ccc(OC)c2c1cc(C(=O)[O-])n2C
InChIInChI=1S/C12H13NO4/c1-13-8(12(14)15)6-7-9(16-2)4-5-10(17-3)11(7)13/h4-6H,1-3H3,(H,14,15)/p-1
InChIKeyCEUWDWAXFLFQHR-UHFFFAOYSA-M
XLogP0.56
TPSA63.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
(2S)-2-[[(2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]amino]propanoic acid
CID 7070161
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387
[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone
CID 46964895
4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
CID 11196672
(4,7-dimethoxy-1-methylindol-2-yl)-(1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 46964656
1-[2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 4868605
methyl 4-[2-(aminomethyl)pentoxy]-7-methoxy-1-methylindole-2-carboxylate
CID 141320002

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1-methylindole-2-carboxylate?
The IUPAC name of 4,7-dimethoxy-1-methylindole-2-carboxylate (CID 6953965) is 4,7-dimethoxy-1-methylindole-2-carboxylate.
What is the SMILES notation for 4,7-dimethoxy-1-methylindole-2-carboxylate?
The canonical SMILES for 4,7-dimethoxy-1-methylindole-2-carboxylate is COc1ccc(OC)c2c1cc(C(=O)[O-])n2C.
What is the InChIKey of 4,7-dimethoxy-1-methylindole-2-carboxylate?
The InChIKey is CEUWDWAXFLFQHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO4/c1-13-8(12(14)15)6-7-9(16-2)4-5-10(17-3)11(7)13/h4-6H,1-3H3,(H,14,15)/p-1.
What are the key properties of 4,7-dimethoxy-1-methylindole-2-carboxylate?
4,7-dimethoxy-1-methylindole-2-carboxylate has a molecular weight of 234.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1-methylindole-2-carboxylate is sourced from PubChem (CID 6953965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).