7-methoxy-1,4-dimethylindole-2-carboxylic acid

C12H13NO3 — CID 83486446

IUPAC7-methoxy-1,4-dimethylindole-2-carboxylic acid
SMILESCOc1ccc(C)c2cc(C(=O)O)n(C)c12
InChIInChI=1S/C12H13NO3/c1-7-4-5-10(16-3)11-8(7)6-9(12(14)15)13(11)2/h4-6H,1-3H3,(H,14,15)
InChIKeyIVOADCJFIRDMIS-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.19
Rot. Bonds2

About 7-methoxy-1,4-dimethylindole-2-carboxylic acid

7-methoxy-1,4-dimethylindole-2-carboxylic acid (PubChem CID 83486446) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-methoxy-1,4-dimethylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,4-dimethylindole-2-carboxylic acid
PubChem CID83486446
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-methoxy-1,4-dimethylindole-2-carboxylic acid
SMILESCOc1ccc(C)c2cc(C(=O)O)n(C)c12
InChIInChI=1S/C12H13NO3/c1-7-4-5-10(16-3)11-8(7)6-9(12(14)15)13(11)2/h4-6H,1-3H3,(H,14,15)
InChIKeyIVOADCJFIRDMIS-UHFFFAOYSA-N
XLogP2.19
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
methyl 7-methoxy-1,4-dimethylindole-2-carboxylate
CID 132843169
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
3-(7-methoxy-1,4-dimethylindol-2-yl)propanoic acid
CID 84741857
4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
CID 170994441
(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
4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
CID 11196672
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
CID 130408616
7-[2-(2-carboxy-1-methyl-5-phenylmethoxyindol-7-yl)-2-methylpropoxy]-1,4-dimethylindole-2-carboxylic acid
CID 166734569

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,4-dimethylindole-2-carboxylic acid?
The IUPAC name of 7-methoxy-1,4-dimethylindole-2-carboxylic acid (CID 83486446) is 7-methoxy-1,4-dimethylindole-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,4-dimethylindole-2-carboxylic acid?
The canonical SMILES for 7-methoxy-1,4-dimethylindole-2-carboxylic acid is COc1ccc(C)c2cc(C(=O)O)n(C)c12.
What is the InChIKey of 7-methoxy-1,4-dimethylindole-2-carboxylic acid?
The InChIKey is IVOADCJFIRDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-4-5-10(16-3)11-8(7)6-9(12(14)15)13(11)2/h4-6H,1-3H3,(H,14,15).
What are the key properties of 7-methoxy-1,4-dimethylindole-2-carboxylic acid?
7-methoxy-1,4-dimethylindole-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,4-dimethylindole-2-carboxylic acid is sourced from PubChem (CID 83486446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).