2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one

C18H18F2N2O3 — CID 160582302

IUPAC2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C18H18F2N2O3/c19-16-3-1-2-12(18(16)20)8-14(23)9-13-10-15(24)11-17(21-13)22-4-6-25-7-5-22/h1-3,11H,4-10H2
InChIKeyRBYBCIRVXLSHRC-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.05
Rot. Bonds5

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

2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 160582302) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID160582302
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc(F)c2F)C1
InChIInChI=1S/C18H18F2N2O3/c19-16-3-1-2-12(18(16)20)8-14(23)9-13-10-15(24)11-17(21-13)22-4-6-25-7-5-22/h1-3,11H,4-10H2
InChIKeyRBYBCIRVXLSHRC-UHFFFAOYSA-N
XLogP2.05
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluoro-2-hydroxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 153247883
2-[3-(1-benzofuran-4-yl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161402750
2-[3-(3,5-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158411819
2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 161219072
2-[3-(4-fluoro-3-methoxyphenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 148853210
2-(6-morpholin-4-yl-4-oxo-3H-pyridin-2-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 148949691
2-[2-[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160884209
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-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 147440937
2-[2-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158474103
2-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 159000988
3-[(2,3-difluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115618229

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 160582302) is 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one is O=C1C=C(N2CCOCC2)N=C(CC(=O)Cc2cccc(F)c2F)C1.
What is the InChIKey of 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is RBYBCIRVXLSHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-16-3-1-2-12(18(16)20)8-14(23)9-13-10-15(24)11-17(21-13)22-4-6-25-7-5-22/h1-3,11H,4-10H2.
What are the key properties of 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 348.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 160582302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).