7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid

C17H22N2O3 — CID 67255185

IUPAC7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cn(CCCN3CCOCC3)c12
InChIInChI=1S/C17H22N2O3/c1-13-4-2-5-14-15(17(20)21)12-19(16(13)14)7-3-6-18-8-10-22-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H,20,21)
InChIKeyOTMYHEZVEIPBGG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.37
Rot. Bonds5

About 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid

7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid (PubChem CID 67255185) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
PubChem CID67255185
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cn(CCCN3CCOCC3)c12
InChIInChI=1S/C17H22N2O3/c1-13-4-2-5-14-15(17(20)21)12-19(16(13)14)7-3-6-18-8-10-22-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H,20,21)
InChIKeyOTMYHEZVEIPBGG-UHFFFAOYSA-N
XLogP2.37
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
2,2,2-trifluoro-1-[7-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 67257110
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 118654790
4-[3-(4-methylindol-1-yl)propyl]morpholine
CID 58748400
phenyl 1-[3-(3-acetyl-7-methylindol-1-yl)propyl]piperidine-4-carboximidothioate
CID 143502648
1-[1-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 58968072
2-morpholin-4-ylethyl 1-(2-morpholin-4-ylethyl)-3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indole-7-carboxylate
CID 11569778
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
4-[3-(2,7-dimethyl-1-propylindol-3-yl)propyl]morpholine
CID 170871034
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid?
The IUPAC name of 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid (CID 67255185) is 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid.
What is the SMILES notation for 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid?
The canonical SMILES for 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid is Cc1cccc2c(C(=O)O)cn(CCCN3CCOCC3)c12.
What is the InChIKey of 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid?
The InChIKey is OTMYHEZVEIPBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-4-2-5-14-15(17(20)21)12-19(16(13)14)7-3-6-18-8-10-22-11-9-18/h2,4-5,12H,3,6-11H2,1H3,(H,20,21).
What are the key properties of 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid?
7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid is sourced from PubChem (CID 67255185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).