(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one

C20H22N2O3 — CID 15086407

IUPAC(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCN2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C20H22N2O3/c23-20(18-2-1-9-21-16-18)8-5-17-3-6-19(7-4-17)25-15-12-22-10-13-24-14-11-22/h1-9,16H,10-15H2/b8-5+
InChIKeyZRVZBIIDAFXNLP-VMPITWQZSA-N
MW338.41 g/mol
LogP2.69
Rot. Bonds7

About (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one

(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 15086407) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
PubChem CID15086407
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCCN2CCOCC2)cc1)c1cccnc1
InChIInChI=1S/C20H22N2O3/c23-20(18-2-1-9-21-16-18)8-5-17-3-6-19(7-4-17)25-15-12-22-10-13-24-14-11-22/h1-9,16H,10-15H2/b8-5+
InChIKeyZRVZBIIDAFXNLP-VMPITWQZSA-N
XLogP2.69
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
(E)-1-[4-(difluoromethoxy)phenyl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19542949
(Z)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 170877328
(E)-1-(4-hydroxy-3-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19566862
methyl (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 89092566
(E)-1-(2-methoxyphenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567083
(E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-pyridin-3-ylprop-2-en-1-one;hydrochloride
CID 51056416
(E)-1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one
CID 19567216
3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 4147644
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one (CID 15086407) is (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccc(OCCN2CCOCC2)cc1)c1cccnc1.
What is the InChIKey of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is ZRVZBIIDAFXNLP-VMPITWQZSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(18-2-1-9-21-16-18)8-5-17-3-6-19(7-4-17)25-15-12-22-10-13-24-14-11-22/h1-9,16H,10-15H2/b8-5+.
What are the key properties of (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 15086407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).