1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid

C18H24N2O3 — CID 159387735

IUPAC1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1
InChIInChI=1S/C18H24N2O3/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,5-10H2,1-2H3,(H,21,22)
InChIKeyDUWGJCHPLUKQDJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid

1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid (PubChem CID 159387735) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
PubChem CID159387735
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1
InChIInChI=1S/C18H24N2O3/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,5-10H2,1-2H3,(H,21,22)
InChIKeyDUWGJCHPLUKQDJ-UHFFFAOYSA-N
XLogP2.80
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]butanamide;dihydrochloride
CID 120503366
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(4-phenylbutan-2-yl)urea
CID 56557229
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
CID 82099993
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 56557266
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
1-methyl-N-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 112520338
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid (CID 159387735) is 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid is CC(C)c1cc(C(=O)O)cc2c1ccn2CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
The InChIKey is DUWGJCHPLUKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)16-11-14(18(21)22)12-17-15(16)3-4-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,5-10H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid?
1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-4-propan-2-ylindole-6-carboxylic acid is sourced from PubChem (CID 159387735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).