4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid

C14H15NO5 — CID 11196672

IUPAC4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
SMILESCOc1ccc(OC)c2c1cc(C(=O)O)n2CC(C)=O
InChIInChI=1S/C14H15NO5/c1-8(16)7-15-10(14(17)18)6-9-11(19-2)4-5-12(20-3)13(9)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyHFVOAPFRMLPVHG-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.95
Rot. Bonds5

About 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid

4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid (PubChem CID 11196672) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
PubChem CID11196672
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
SMILESCOc1ccc(OC)c2c1cc(C(=O)O)n2CC(C)=O
InChIInChI=1S/C14H15NO5/c1-8(16)7-15-10(14(17)18)6-9-11(19-2)4-5-12(20-3)13(9)15/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyHFVOAPFRMLPVHG-UHFFFAOYSA-N
XLogP1.95
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
4,7-dimethoxy-1-methylindole-2-carboxylate
CID 6953965
methyl 4,7-dimethoxy-1-methylindole-2-carboxylate
CID 4777665
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
6-methyl-1-oxo-2-(2-oxopropyl)isoquinoline-3-carboxylic acid
CID 82366705
2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
CID 67539220
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4,7-dimethoxy-1-methylindol-2-yl)methanone
CID 46964895
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
2-(4-methoxy-2-methylindol-1-yl)acetic acid
CID 18735254
ethyl 7-bromo-4-methoxy-1-methylindole-2-carboxylate
CID 142441387

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid?
The IUPAC name of 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid (CID 11196672) is 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid.
What is the SMILES notation for 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid?
The canonical SMILES for 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid is COc1ccc(OC)c2c1cc(C(=O)O)n2CC(C)=O.
What is the InChIKey of 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid?
The InChIKey is HFVOAPFRMLPVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8(16)7-15-10(14(17)18)6-9-11(19-2)4-5-12(20-3)13(9)15/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid?
4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid is sourced from PubChem (CID 11196672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).