7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one

C12H11ClFNO — CID 22222519

IUPAC7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(Cl)c(F)cc2c(=O)c1C
InChIInChI=1S/C12H11ClFNO/c1-3-10-6(2)12(16)7-4-9(14)8(13)5-11(7)15-10/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyQSPYQKJMYXCIIQ-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.19
Rot. Bonds1

About 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one

7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one (PubChem CID 22222519) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one
PubChem CID22222519
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(Cl)c(F)cc2c(=O)c1C
InChIInChI=1S/C12H11ClFNO/c1-3-10-6(2)12(16)7-4-9(14)8(13)5-11(7)15-10/h4-5H,3H2,1-2H3,(H,15,16)
InChIKeyQSPYQKJMYXCIIQ-UHFFFAOYSA-N
XLogP3.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one (CID 22222519) is 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one is CCc1[nH]c2cc(Cl)c(F)cc2c(=O)c1C.
What is the InChIKey of 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is QSPYQKJMYXCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-3-10-6(2)12(16)7-4-9(14)8(13)5-11(7)15-10/h4-5H,3H2,1-2H3,(H,15,16).
What are the key properties of 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one?
7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 239.68 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-6-fluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 22222519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).