4-methoxy-3-propyl-1H-indole-7-carboxylic acid

C13H15NO3 — CID 170204793

IUPAC4-methoxy-3-propyl-1H-indole-7-carboxylic acid
SMILESCCCc1c[nH]c2c(C(=O)O)ccc(OC)c12
InChIInChI=1S/C13H15NO3/c1-3-4-8-7-14-12-9(13(15)16)5-6-10(17-2)11(8)12/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOXUNSXOYDLUCIX-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.83
Rot. Bonds4

About 4-methoxy-3-propyl-1H-indole-7-carboxylic acid

4-methoxy-3-propyl-1H-indole-7-carboxylic acid (PubChem CID 170204793) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methoxy-3-propyl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-3-propyl-1H-indole-7-carboxylic acid
PubChem CID170204793
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-methoxy-3-propyl-1H-indole-7-carboxylic acid
SMILESCCCc1c[nH]c2c(C(=O)O)ccc(OC)c12
InChIInChI=1S/C13H15NO3/c1-3-4-8-7-14-12-9(13(15)16)5-6-10(17-2)11(8)12/h5-7,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyOXUNSXOYDLUCIX-UHFFFAOYSA-N
XLogP2.83
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-4-methoxy-1H-indol-3-yl)propanoic acid
CID 82499552
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081
3-(2-aminoethyl)-4-hydroxy-1H-indole-7-carboxylic acid
CID 163387080
5,8-dimethoxy-4-propyl-1H-quinolin-2-one
CID 15370073
N,N-diethyl-2-(4-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946921
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-indole-7-carboxylic acid
CID 18519750
5,8-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11119371
5-ethyl-3-propyl-1H-indole-7-carboxylic acid
CID 83946544
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941
4-ethyl-2-methoxybenzoic acid
CID 18687349
1-[3-[2-(dibutylamino)ethyl]-4-phenylmethoxy-1H-indol-7-yl]-2,2,2-trifluoroethanone
CID 163387084
5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
CID 84684368

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propyl-1H-indole-7-carboxylic acid?
The IUPAC name of 4-methoxy-3-propyl-1H-indole-7-carboxylic acid (CID 170204793) is 4-methoxy-3-propyl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4-methoxy-3-propyl-1H-indole-7-carboxylic acid?
The canonical SMILES for 4-methoxy-3-propyl-1H-indole-7-carboxylic acid is CCCc1c[nH]c2c(C(=O)O)ccc(OC)c12.
What is the InChIKey of 4-methoxy-3-propyl-1H-indole-7-carboxylic acid?
The InChIKey is OXUNSXOYDLUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-4-8-7-14-12-9(13(15)16)5-6-10(17-2)11(8)12/h5-7,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-3-propyl-1H-indole-7-carboxylic acid?
4-methoxy-3-propyl-1H-indole-7-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propyl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 170204793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).