(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one

C20H20N2O3 — CID 118735508

IUPAC(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-25-15-4-6-19-17(13-15)16(18(22-19)3-2-12-23)5-7-20(24)14-8-10-21-11-9-14/h4-11,13,22-23H,2-3,12H2,1H3/b7-5+
InChIKeyJLHFHEKVDPYZNC-FNORWQNLSA-N
MW336.39 g/mol
LogP3.39
Rot. Bonds7

About (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one

(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 118735508) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
PubChem CID118735508
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-25-15-4-6-19-17(13-15)16(18(22-19)3-2-12-23)5-7-20(24)14-8-10-21-11-9-14/h4-11,13,22-23H,2-3,12H2,1H3/b7-5+
InChIKeyJLHFHEKVDPYZNC-FNORWQNLSA-N
XLogP3.39
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-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

(E)-3-(2,5-dimethoxy-1H-indol-3-yl)-1-pyridin-4-ylprop-2-en-1-one
CID 122388500
5-methoxy-3-[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]-1H-indole-2-carboxylic acid
CID 118108330
(E)-3-[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one
CID 134139930
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
(E)-3-(5-methoxy-2-methyl-1H-indol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134148901
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]pyridine-4-carboxamide
CID 137172272
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
[2-(hydroxymethyl)-5-methoxy-1H-indol-3-yl] acetate
CID 70622669
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
5-methoxy-2-(2-methylpropyl)-1H-indole-3-carbaldehyde
CID 84694640
3-(4-methoxy-2,6-dimethylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 70019176

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one (CID 118735508) is (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one is COc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1.
What is the InChIKey of (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is JLHFHEKVDPYZNC-FNORWQNLSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-15-4-6-19-17(13-15)16(18(22-19)3-2-12-23)5-7-20(24)14-8-10-21-11-9-14/h4-11,13,22-23H,2-3,12H2,1H3/b7-5+.
What are the key properties of (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 336.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl]-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 118735508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).