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

C18H22N2O3 — CID 90128383

IUPAC3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1
InChIInChI=1S/C18H22N2O3/c21-18(22)14-3-4-17-15(11-14)16(13-1-2-13)12-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,1-2,5-10H2,(H,21,22)
InChIKeyFOJFVQPSBRLRQW-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.55
Rot. Bonds5

About 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid

3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid (PubChem CID 90128383) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
PubChem CID90128383
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1
InChIInChI=1S/C18H22N2O3/c21-18(22)14-3-4-17-15(11-14)16(13-1-2-13)12-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,1-2,5-10H2,(H,21,22)
InChIKeyFOJFVQPSBRLRQW-UHFFFAOYSA-N
XLogP2.55
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-prop-2-enylindole-5-carboxylic acid
CID 118402250
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
CID 90128387
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
4-[2-(6-chloro-3-piperidin-4-ylindol-1-yl)ethyl]morpholine
CID 12072043
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1-(4-carboxybutyl)-3-cyclohexylindole-6-carboxylic acid
CID 56590629
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-3-prop-2-enylindol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate
CID 160565573
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid (CID 90128383) is 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.
What is the InChIKey of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
The InChIKey is FOJFVQPSBRLRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-18(22)14-3-4-17-15(11-14)16(13-1-2-13)12-20(17)6-5-19-7-9-23-10-8-19/h3-4,11-13H,1-2,5-10H2,(H,21,22).
What are the key properties of 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid?
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 90128383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).