(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one

C20H19N3O2 — CID 164628360

IUPAC(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1-c1ccc2cc[nH]c2c1)N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-9-11-25-12-10-23)4-3-15-5-7-21-14-18(15)17-2-1-16-6-8-22-19(16)13-17/h1-8,13-14,22H,9-12H2/b4-3+
InChIKeyDLQKPCPZDVPGAD-ONEGZZNKSA-N
MW333.39 g/mol
LogP3.10
Rot. Bonds3

About (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one

(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 164628360) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID164628360
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1-c1ccc2cc[nH]c2c1)N1CCOCC1
InChIInChI=1S/C20H19N3O2/c24-20(23-9-11-25-12-10-23)4-3-15-5-7-21-14-18(15)17-2-1-16-6-8-22-19(16)13-17/h1-8,13-14,22H,9-12H2/b4-3+
InChIKeyDLQKPCPZDVPGAD-ONEGZZNKSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one (CID 164628360) is (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1-c1ccc2cc[nH]c2c1)N1CCOCC1.
What is the InChIKey of (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is DLQKPCPZDVPGAD-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(23-9-11-25-12-10-23)4-3-15-5-7-21-14-18(15)17-2-1-16-6-8-22-19(16)13-17/h1-8,13-14,22H,9-12H2/b4-3+.
What are the key properties of (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 333.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(1H-indol-6-yl)-4-pyridinyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 164628360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).