2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one

C12H11F2NO — CID 63561297

IUPAC2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)cc(F)cc2c(=O)c1C
InChIInChI=1S/C12H11F2NO/c1-3-10-6(2)12(16)8-4-7(13)5-9(14)11(8)15-10/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyJAPJDBKWFGWXNN-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.68
Rot. Bonds1

About 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one

2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one (PubChem CID 63561297) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
PubChem CID63561297
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)cc(F)cc2c(=O)c1C
InChIInChI=1S/C12H11F2NO/c1-3-10-6(2)12(16)8-4-7(13)5-9(14)11(8)15-10/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyJAPJDBKWFGWXNN-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-5,6,8-trifluoro-3-methyl-1H-quinolin-4-one
CID 63561305
2-ethyl-5,7-difluoro-3-methyl-1H-quinolin-4-one
CID 63561464
2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one
CID 63561471
2-ethyl-6,7-difluoro-3-methyl-1H-quinolin-4-one
CID 22222510
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one
CID 22222519
2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
CID 79050327
6,8-difluoro-2-methyl-3-propan-2-yl-1H-quinolin-4-one
CID 62913301
5-chloro-2-ethyl-7-fluoro-3-methyl-1H-quinolin-4-one
CID 107370200
1,3,6,8-tetrafluoro-9H-carbazole
CID 163211724
2-ethyl-3-methyl-8-propan-2-yl-1H-quinolin-4-one
CID 63561293
5,7-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335196

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one (CID 63561297) is 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one is CCc1[nH]c2c(F)cc(F)cc2c(=O)c1C.
What is the InChIKey of 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is JAPJDBKWFGWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-3-10-6(2)12(16)8-4-7(13)5-9(14)11(8)15-10/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one?
2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 223.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-difluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 63561297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).