4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one

C22H20N2O3 — CID 155407423

IUPAC4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)o3)cc2)cc[nH]1
InChIInChI=1S/C22H20N2O3/c25-22-15-19(9-10-23-22)18-4-1-17(2-5-18)3-6-20-7-8-21(27-20)16-24-11-13-26-14-12-24/h1-2,4-5,7-10,15H,11-14,16H2,(H,23,25)
InChIKeyWINSHRBPTZAFDT-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.87
Rot. Bonds3

About 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one

4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one (PubChem CID 155407423) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one
PubChem CID155407423
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)o3)cc2)cc[nH]1
InChIInChI=1S/C22H20N2O3/c25-22-15-19(9-10-23-22)18-4-1-17(2-5-18)3-6-20-7-8-21(27-20)16-24-11-13-26-14-12-24/h1-2,4-5,7-10,15H,11-14,16H2,(H,23,25)
InChIKeyWINSHRBPTZAFDT-UHFFFAOYSA-N
XLogP2.87
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
4-[3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyridin-2-one
CID 146338701
4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
CID 142747429
5-hydroxy-4-[[3-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-4,5-dihydro-1,2-oxazol-4-yl]methyl]-1H-pyrimidin-6-one
CID 167451542
6-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-4-pyridinyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135524089
4-[(5-quinazolin-6-ylfuran-2-yl)methyl]morpholine
CID 141290610
5-hydroxy-4-[[4-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]-2-oxoimidazolidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 167451558
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2,2-dimethyl-7-[4-(morpholin-4-ylmethyl)phenyl]-4H-1,4-benzoxazin-3-one
CID 167886704
2-amino-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxylic acid
CID 68760205
2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylic acid
CID 91341400

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one (CID 155407423) is 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one is O=c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)o3)cc2)cc[nH]1.
What is the InChIKey of 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one?
The InChIKey is WINSHRBPTZAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22-15-19(9-10-23-22)18-4-1-17(2-5-18)3-6-20-7-8-21(27-20)16-24-11-13-26-14-12-24/h1-2,4-5,7-10,15H,11-14,16H2,(H,23,25).
What are the key properties of 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one?
4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one has a molecular weight of 360.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[5-(morpholin-4-ylmethyl)furan-2-yl]ethynyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 155407423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).