1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid

C17H20N2O5 — CID 67256324

IUPAC1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2c(C(=O)N3CCOCC3)cccc21
InChIInChI=1S/C17H20N2O5/c1-23-8-5-19-11-13(17(21)22)15-12(3-2-4-14(15)19)16(20)18-6-9-24-10-7-18/h2-4,11H,5-10H2,1H3,(H,21,22)
InChIKeyIOPLNQIRIJOBGG-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid

1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid (PubChem CID 67256324) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
PubChem CID67256324
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
SMILESCOCCn1cc(C(=O)O)c2c(C(=O)N3CCOCC3)cccc21
InChIInChI=1S/C17H20N2O5/c1-23-8-5-19-11-13(17(21)22)15-12(3-2-4-14(15)19)16(20)18-6-9-24-10-7-18/h2-4,11H,5-10H2,1H3,(H,21,22)
InChIKeyIOPLNQIRIJOBGG-UHFFFAOYSA-N
XLogP1.46
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carbaldehyde
CID 86671616
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133249
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
4-chloro-1-(2-methoxyethyl)indole-3-carboxylic acid;2-(trifluoromethyl)benzamide
CID 175105200
N-[3-[4-[5-(aminomethyl)-2-fluorophenyl]piperidine-1-carbonyl]-1-(2-methoxyethyl)indol-4-yl]oxane-4-carboxamide
CID 67261737
3-[4-[5-(aminomethyl)-2-fluorophenyl]piperidine-1-carbonyl]-1-(2-methoxyethyl)-N,N-dimethylindole-4-carboxamide
CID 50898456
1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-methoxyethyl)indol-3-yl]methanone
CID 71754385
morpholin-4-yl-[1-[2-(2-phenylcyclopropyl)ethyl]indol-3-yl]methanone
CID 178132738
[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
CID 141303525

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid (CID 67256324) is 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid is COCCn1cc(C(=O)O)c2c(C(=O)N3CCOCC3)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid?
The InChIKey is IOPLNQIRIJOBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-23-8-5-19-11-13(17(21)22)15-12(3-2-4-14(15)19)16(20)18-6-9-24-10-7-18/h2-4,11H,5-10H2,1H3,(H,21,22).
What are the key properties of 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid?
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid is sourced from PubChem (CID 67256324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).