4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one

C18H14FNO4 — CID 513252

IUPAC4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(O)c1=O
InChIInChI=1S/C18H14FNO4/c1-20-9-8-14(17(22)18(20)23)16(21)15-7-6-13(24-15)10-11-2-4-12(19)5-3-11/h2-9,22H,10H2,1H3
InChIKeyFGLAHILSKMVDPX-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.64
Rot. Bonds4

About 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one

4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one (PubChem CID 513252) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one
PubChem CID513252
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(O)c1=O
InChIInChI=1S/C18H14FNO4/c1-20-9-8-14(17(22)18(20)23)16(21)15-7-6-13(24-15)10-11-2-4-12(19)5-3-11/h2-9,22H,10H2,1H3
InChIKeyFGLAHILSKMVDPX-UHFFFAOYSA-N
XLogP2.64
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one (CID 513252) is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one is Cn1ccc(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(O)c1=O.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one?
The InChIKey is FGLAHILSKMVDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-20-9-8-14(17(22)18(20)23)16(21)15-7-6-13(24-15)10-11-2-4-12(19)5-3-11/h2-9,22H,10H2,1H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one?
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one has a molecular weight of 327.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one is sourced from PubChem (CID 513252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).