3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one

C24H26N2O3 — CID 4889673

IUPAC3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cn(CC(O)CN2CCOCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H26N2O3/c27-21(17-25-12-14-29-15-13-25)18-26-16-20(22-8-4-5-9-23(22)26)10-11-24(28)19-6-2-1-3-7-19/h1-11,16,21,27H,12-15,17-18H2
InChIKeyYRRRNKDXKFWBFE-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.23
Rot. Bonds7

About 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one

3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one (PubChem CID 4889673) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
PubChem CID4889673
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
SMILESO=C(C=Cc1cn(CC(O)CN2CCOCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C24H26N2O3/c27-21(17-25-12-14-29-15-13-25)18-26-16-20(22-8-4-5-9-23(22)26)10-11-24(28)19-6-2-1-3-7-19/h1-11,16,21,27H,12-15,17-18H2
InChIKeyYRRRNKDXKFWBFE-UHFFFAOYSA-N
XLogP3.23
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one?
The IUPAC name of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one (CID 4889673) is 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one is O=C(C=Cc1cn(CC(O)CN2CCOCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one?
The InChIKey is YRRRNKDXKFWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-21(17-25-12-14-29-15-13-25)18-26-16-20(22-8-4-5-9-23(22)26)10-11-24(28)19-6-2-1-3-7-19/h1-11,16,21,27H,12-15,17-18H2.
What are the key properties of 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one?
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one has a molecular weight of 390.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 4889673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).