4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one

C24H23F2NO — CID 89134109

IUPAC4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one
SMILESC=Cc1ccc(-n2c(C)cc(CCCc3ccc(F)cc3F)cc2=O)c(C)c1
InChIInChI=1S/C24H23F2NO/c1-4-18-8-11-23(16(2)12-18)27-17(3)13-19(14-24(27)28)6-5-7-20-9-10-21(25)15-22(20)26/h4,8-15H,1,5-7H2,2-3H3
InChIKeyITGFHBRMMDGQLA-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.55
Rot. Bonds6

About 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one

4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one (PubChem CID 89134109) has the molecular formula C24H23F2NO and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one
PubChem CID89134109
Molecular FormulaC24H23F2NO
Molecular Weight379.45 g/mol
Exact Mass379.17
IUPAC Name4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one
SMILESC=Cc1ccc(-n2c(C)cc(CCCc3ccc(F)cc3F)cc2=O)c(C)c1
InChIInChI=1S/C24H23F2NO/c1-4-18-8-11-23(16(2)12-18)27-17(3)13-19(14-24(27)28)6-5-7-20-9-10-21(25)15-22(20)26/h4,8-15H,1,5-7H2,2-3H3
InChIKeyITGFHBRMMDGQLA-UHFFFAOYSA-N
XLogP5.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methylquinolin-2(1H)-one
CID 12237458
1-(1,1'-Biphenyl)-4-yl-1H-pyrrole-2,5-dione
CID 42797
N-(2,4-Xylyl)maleimide
CID 699498
4-(Trifluoromethyl)-8,8-dimethyl-8,9-dihydropyrido[3,2-g]quinolin-2(1H)-one
CID 10851308
7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One
CID 71576800
1-(2,2,4,6-Tetramethyl-2H-quinolin-1-yl)-but-2-en-1-one
CID 750408
1-[3-(4-Fluorophenyl)acryloyl]-1,2,3,4-tetrahydroquinoline
CID 773758
N-(4-butyl-2-methylphenyl)acetamide
CID 2747581
4-Methyl-1-phenyl-2(1H)-quinolone
CID 269183
4,6-Dimethyl-2-hydroxyquinoline
CID 269608
N,N'-Diacetyl-3,3'-dimethylbenzidine
CID 626583
N-(2-methylphenyl)-N-[1-(prop-2-en-1-yl)cyclohexyl]acetamide
CID 780930

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one?
The IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one (CID 89134109) is 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one?
The canonical SMILES for 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one is C=Cc1ccc(-n2c(C)cc(CCCc3ccc(F)cc3F)cc2=O)c(C)c1.
What is the InChIKey of 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one?
The InChIKey is ITGFHBRMMDGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO/c1-4-18-8-11-23(16(2)12-18)27-17(3)13-19(14-24(27)28)6-5-7-20-9-10-21(25)15-22(20)26/h4,8-15H,1,5-7H2,2-3H3.
What are the key properties of 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one?
4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one has a molecular weight of 379.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-difluorophenyl)propyl]-1-(4-ethenyl-2-methylphenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 89134109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).