5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one

C28H31N3O2 — CID 158760772

IUPAC5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one
SMILESO=C(CCCCN1CCOCC1)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1
InChIInChI=1S/C28H31N3O2/c32-28(9-1-2-16-31-17-19-33-20-18-31)25-6-4-8-27(22-25)30-26-7-3-5-24(21-26)11-10-23-12-14-29-15-13-23/h3-8,10-15,21-22,30H,1-2,9,16-20H2/b11-10+
InChIKeyZYGLJLMOLLWOEO-ZHACJKMWSA-N
MW441.58 g/mol
LogP5.68
Rot. Bonds10

About 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one

5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one (PubChem CID 158760772) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one.

Molecular Properties

Compound Name5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one
PubChem CID158760772
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one
SMILESO=C(CCCCN1CCOCC1)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1
InChIInChI=1S/C28H31N3O2/c32-28(9-1-2-16-31-17-19-33-20-18-31)25-6-4-8-27(22-25)30-26-7-3-5-24(21-26)11-10-23-12-14-29-15-13-23/h3-8,10-15,21-22,30H,1-2,9,16-20H2/b11-10+
InChIKeyZYGLJLMOLLWOEO-ZHACJKMWSA-N
XLogP5.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 51162231
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1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
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1-isoquinolin-7-yl-3-morpholin-4-ylpropan-1-one
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4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 56564244
4-cyclopentyl-1-[3-[4-[(E)-2-pyrazin-2-ylethenyl]anilino]phenyl]butan-1-one
CID 158518819
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
(E)-2-methyl-N-[3-(3-morpholin-4-ium-4-ylpropanoyl)phenyl]-3-phenylprop-2-enamide chloride
CID 110180092
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one?
The IUPAC name of 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one (CID 158760772) is 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one.
What is the SMILES notation for 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one?
The canonical SMILES for 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one is O=C(CCCCN1CCOCC1)c1cccc(Nc2cccc(/C=C/c3ccncc3)c2)c1.
What is the InChIKey of 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one?
The InChIKey is ZYGLJLMOLLWOEO-ZHACJKMWSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-28(9-1-2-16-31-17-19-33-20-18-31)25-6-4-8-27(22-25)30-26-7-3-5-24(21-26)11-10-23-12-14-29-15-13-23/h3-8,10-15,21-22,30H,1-2,9,16-20H2/b11-10+.
What are the key properties of 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one?
5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one has a molecular weight of 441.58 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-1-[3-[3-[(E)-2-pyridin-4-ylethenyl]anilino]phenyl]pentan-1-one is sourced from PubChem (CID 158760772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).