3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one

C17H10F4N2O2 — CID 70681081

IUPAC3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one
SMILESCC(=O)c1c(Nc2ccc(F)cc2F)[nH]c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C17H10F4N2O2/c1-7(24)13-16(25)14-9(19)3-4-10(20)15(14)23-17(13)22-12-5-2-8(18)6-11(12)21/h2-6H,1H3,(H2,22,23,25)
InChIKeyWRYLOXZGRBUUOE-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.03
Rot. Bonds3

About 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one

3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one (PubChem CID 70681081) has the molecular formula C17H10F4N2O2 and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one
PubChem CID70681081
Molecular FormulaC17H10F4N2O2
Molecular Weight350.27 g/mol
Exact Mass350.07
IUPAC Name3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one
SMILESCC(=O)c1c(Nc2ccc(F)cc2F)[nH]c2c(F)ccc(F)c2c1=O
InChIInChI=1S/C17H10F4N2O2/c1-7(24)13-16(25)14-9(19)3-4-10(20)15(14)23-17(13)22-12-5-2-8(18)6-11(12)21/h2-6H,1H3,(H2,22,23,25)
InChIKeyWRYLOXZGRBUUOE-UHFFFAOYSA-N
XLogP4.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-2-(4-tert-butylanilino)-5,8-difluoro-1H-quinolin-4-one
CID 44565904
3-acetyl-8-chloro-2-(2-chloro-4-fluoroanilino)-5-methyl-1H-quinolin-4-one
CID 25014057
3-acetyl-8-chloro-5-fluoro-2-(3-fluoroanilino)-1H-quinolin-4-one
CID 25014061
5,8-dichloro-3-(cyclopropanecarbonyl)-2-(2,4-difluoroanilino)-1H-quinolin-4-one
CID 134458157
3-acetyl-8-bromo-2-(2,4,5-trifluoroanilino)-5-(trifluoromethyl)-1H-quinolin-4-one
CID 134457886
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
3-acetyl-5,8-difluoro-2-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methylsulfanyl]-1H-quinolin-4-one
CID 138715922
8-chloro-2-(4-chloro-2-fluoroanilino)-3-(3-methylbutanoyl)-5-nitro-1H-quinolin-4-one
CID 70681074
N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021840
2-(2,4-difluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779284
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
3-[(2,4-difluorophenyl)methyl]-8-fluoro-5-hydroxy-4-methyl-1H-quinolin-2-one
CID 68784723

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one?
The IUPAC name of 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one (CID 70681081) is 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one?
The canonical SMILES for 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one is CC(=O)c1c(Nc2ccc(F)cc2F)[nH]c2c(F)ccc(F)c2c1=O.
What is the InChIKey of 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one?
The InChIKey is WRYLOXZGRBUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O2/c1-7(24)13-16(25)14-9(19)3-4-10(20)15(14)23-17(13)22-12-5-2-8(18)6-11(12)21/h2-6H,1H3,(H2,22,23,25).
What are the key properties of 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one?
3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one has a molecular weight of 350.27 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2,4-difluoroanilino)-5,8-difluoro-1H-quinolin-4-one is sourced from PubChem (CID 70681081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).