2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane

C20H28N2O3 — CID 144829094

IUPAC2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C18H22N2O3.C2H6/c21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19;1-2/h3-4,11-13H,1-2,5-10H2,(H,21,22);1-2H3
InChIKeyKTDBVKMELHTYNY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.58
Rot. Bonds5

About 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane

2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane (PubChem CID 144829094) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
PubChem CID144829094
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
SMILESCC.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
InChIInChI=1S/C18H22N2O3.C2H6/c21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19;1-2/h3-4,11-13H,1-2,5-10H2,(H,21,22);1-2H3
InChIKeyKTDBVKMELHTYNY-UHFFFAOYSA-N
XLogP3.58
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane 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-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
3-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967729
ethyl 2-cyclopropyl-1-[2-(4-methyloxocan-5-yl)ethyl]indole-5-carboxylate
CID 123723847
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
2-[ethyl(2-morpholin-4-ylethyl)amino]-1-methylbenzimidazole-5-carboxylic acid
CID 134701689
4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
CID 66764740
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane?
The IUPAC name of 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane (CID 144829094) is 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane.
What is the SMILES notation for 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane?
The canonical SMILES for 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane is CC.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.
What is the InChIKey of 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane?
The InChIKey is KTDBVKMELHTYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.C2H6/c21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19;1-2/h3-4,11-13H,1-2,5-10H2,(H,21,22);1-2H3.
What are the key properties of 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane?
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane has a molecular weight of 344.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane is sourced from PubChem (CID 144829094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).