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

C24H29N3O4 — CID 44578811

IUPAC(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(CN2CCOCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C24H29N3O4/c28-23(7-5-20-3-1-2-8-25-20)21-6-4-19(17-26-9-13-30-14-10-26)24(29)22(21)18-27-11-15-31-16-12-27/h1-8,29H,9-18H2/b7-5+
InChIKeyXODVTQXZPIYECV-FNORWQNLSA-N
MW423.51 g/mol
LogP2.35
Rot. Bonds7

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

(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 44578811) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
PubChem CID44578811
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(CN2CCOCC2)c(O)c1CN1CCOCC1
InChIInChI=1S/C24H29N3O4/c28-23(7-5-20-3-1-2-8-25-20)21-6-4-19(17-26-9-13-30-14-10-26)24(29)22(21)18-27-11-15-31-16-12-27/h1-8,29H,9-18H2/b7-5+
InChIKeyXODVTQXZPIYECV-FNORWQNLSA-N
XLogP2.35
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(morpholin-4-ylmethyl)-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135475870
4-[[2-fluoro-4-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]morpholine
CID 141168108
(E)-3-pyridin-2-yl-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one
CID 170746428
(E)-N-hydroxy-3-[6-[(E)-3-[2-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206364
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
(E)-1-[4-ethoxy-2-hydroxy-5-(morpholin-4-ylmethyl)phenyl]-3-(furan-2-yl)prop-2-en-1-one
CID 44578594
(E)-1-[2-hydroxy-3-(morpholin-4-ylmethyl)-4-propan-2-yloxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 44578547
CID 131887032
CID 131887032
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 102588923
3-amino-2,4,6-tris(morpholin-4-ylmethyl)phenol
CID 139658917
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one (CID 44578811) is (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)c1ccc(CN2CCOCC2)c(O)c1CN1CCOCC1.
What is the InChIKey of (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is XODVTQXZPIYECV-FNORWQNLSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-23(7-5-20-3-1-2-8-25-20)21-6-4-19(17-26-9-13-30-14-10-26)24(29)22(21)18-27-11-15-31-16-12-27/h1-8,29H,9-18H2/b7-5+.
What are the key properties of (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one?
(E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 423.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-hydroxy-2,4-bis(morpholin-4-ylmethyl)phenyl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 44578811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).