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

C21H24N2O4 — CID 10384403

IUPAC(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OCC(O)CN1CCOCC1)c1ccncc1
InChIInChI=1S/C21H24N2O4/c24-19(15-23-11-13-26-14-12-23)16-27-21-4-2-1-3-18(21)5-6-20(25)17-7-9-22-10-8-17/h1-10,19,24H,11-16H2/b6-5+
InChIKeyGNSRUTWBQHYCOL-AATRIKPKSA-N
MW368.43 g/mol
LogP2.05
Rot. Bonds8

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

(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 10384403) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
PubChem CID10384403
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1OCC(O)CN1CCOCC1)c1ccncc1
InChIInChI=1S/C21H24N2O4/c24-19(15-23-11-13-26-14-12-23)16-27-21-4-2-1-3-18(21)5-6-20(25)17-7-9-22-10-8-17/h1-10,19,24H,11-16H2/b6-5+
InChIKeyGNSRUTWBQHYCOL-AATRIKPKSA-N
XLogP2.05
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-[4-(4-bromophenyl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825524
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]-1-phenylprop-2-en-1-one
CID 4889673
3-[2-(difluoromethoxy)phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 4800632
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
3-[2-[2-hydroxy-3-[4-hydroxy-4-(6-methoxynaphthalen-2-yl)piperidin-1-yl]propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825593
3-[2-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825502
3-[2-[2-hydroxy-3-[4-(6-methoxynaphthalen-2-yl)piperidin-1-yl]propoxy]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 139825630
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 51424205
(E)-1-(4-ethoxyphenyl)-3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)indol-3-yl]prop-2-en-1-one
CID 46262224
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one (CID 10384403) is (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1OCC(O)CN1CCOCC1)c1ccncc1.
What is the InChIKey of (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is GNSRUTWBQHYCOL-AATRIKPKSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19(15-23-11-13-26-14-12-23)16-27-21-4-2-1-3-18(21)5-6-20(25)17-7-9-22-10-8-17/h1-10,19,24H,11-16H2/b6-5+.
What are the key properties of (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 368.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 10384403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).