2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one

C20H20N2O4 — CID 161402750

IUPAC2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc3occc23)C1
InChIInChI=1S/C20H20N2O4/c23-16(10-14-2-1-3-19-18(14)4-7-26-19)11-15-12-17(24)13-20(21-15)22-5-8-25-9-6-22/h1-4,7,13H,5-6,8-12H2
InChIKeyVULHIKDLVILNTP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds5

About 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one

2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 161402750) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID161402750
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc3occc23)C1
InChIInChI=1S/C20H20N2O4/c23-16(10-14-2-1-3-19-18(14)4-7-26-19)11-15-12-17(24)13-20(21-15)22-5-8-25-9-6-22/h1-4,7,13H,5-6,8-12H2
InChIKeyVULHIKDLVILNTP-UHFFFAOYSA-N
XLogP2.52
TPSA72.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160582302
2-[3-(4-fluoro-2-hydroxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 153247883
2-[3-(3,5-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158411819
2-[3-(4-fluoro-3-methoxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 148853210
2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161219072
2-(6-morpholin-4-yl-4-oxo-3H-pyridin-2-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 148949691
2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 159000988
2-[2-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158474103
2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one;2-[2-[(2S)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160884208
2-[(5-methyl-3H-indol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 147637522
2-[(1-ethylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 157405231
2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158267441

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 161402750) is 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one is O=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc3occc23)C1.
What is the InChIKey of 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is VULHIKDLVILNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-16(10-14-2-1-3-19-18(14)4-7-26-19)11-15-12-17(24)13-20(21-15)22-5-8-25-9-6-22/h1-4,7,13H,5-6,8-12H2.
What are the key properties of 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 352.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 161402750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).