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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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).