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

C26H30N2O4 — CID 46262224

IUPAC(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C26H30N2O4/c1-2-32-23-10-7-20(8-11-23)26(30)12-9-21-17-28(25-6-4-3-5-24(21)25)19-22(29)18-27-13-15-31-16-14-27/h3-12,17,22,29H,2,13-16,18-19H2,1H3/b12-9+
InChIKeyQVTNERAHLAZALL-FMIVXFBMSA-N
MW434.54 g/mol
LogP3.63
Rot. Bonds9

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

(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one (PubChem CID 46262224) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
PubChem CID46262224
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
SMILESCCOc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C26H30N2O4/c1-2-32-23-10-7-20(8-11-23)26(30)12-9-21-17-28(25-6-4-3-5-24(21)25)19-22(29)18-27-13-15-31-16-14-27/h3-12,17,22,29H,2,13-16,18-19H2,1H3/b12-9+
InChIKeyQVTNERAHLAZALL-FMIVXFBMSA-N
XLogP3.63
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one 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-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
CID 4889673
(Z)-3-[1-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 92945486
(E)-1-(4-ethoxyphenyl)-3-[1-[(4-methylpiperazine-1,4-diium-1-yl)methyl]indol-3-yl]prop-2-en-1-one
CID 7551955
(E)-1-(3,4-dimethoxyphenyl)-3-[1-(morpholin-4-ylmethyl)indol-3-yl]prop-2-en-1-one
CID 6224472
[(2S)-2-hydroxy-3-[3-[(E)-3-oxo-3-phenylprop-1-enyl]indol-1-yl]propyl]-dipropylazanium
CID 7103742
(E)-3-[1-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropyl]indol-3-yl]-1-phenylprop-2-en-1-one
CID 7103766
(E)-3-[1-[3-[bis(2-methylpropyl)amino]-2-hydroxypropyl]indol-3-yl]-1-(4-bromophenyl)prop-2-en-1-one
CID 46262219
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
CID 10384403
(E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6011921
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one (CID 46262224) is (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one is CCOc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one?
The InChIKey is QVTNERAHLAZALL-FMIVXFBMSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-2-32-23-10-7-20(8-11-23)26(30)12-9-21-17-28(25-6-4-3-5-24(21)25)19-22(29)18-27-13-15-31-16-14-27/h3-12,17,22,29H,2,13-16,18-19H2,1H3/b12-9+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one?
(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one has a molecular weight of 434.54 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one is sourced from PubChem (CID 46262224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).