2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one

C12H11F2NO — CID 63561471

IUPAC2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)c(F)ccc2c(=O)c1C
InChIInChI=1S/C12H11F2NO/c1-3-9-6(2)12(16)7-4-5-8(13)10(14)11(7)15-9/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyMXBIXKHCLCHQEB-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.68
Rot. Bonds1

About 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one

2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one (PubChem CID 63561471) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one
PubChem CID63561471
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2c(F)c(F)ccc2c(=O)c1C
InChIInChI=1S/C12H11F2NO/c1-3-9-6(2)12(16)7-4-5-8(13)10(14)11(7)15-9/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyMXBIXKHCLCHQEB-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one (CID 63561471) is 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one is CCc1[nH]c2c(F)c(F)ccc2c(=O)c1C.
What is the InChIKey of 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is MXBIXKHCLCHQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-3-9-6(2)12(16)7-4-5-8(13)10(14)11(7)15-9/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-7,8-difluoro-3-methyl-1H-quinolin-4-one?
2-ethyl-7,8-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-7,8-difluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 63561471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).