2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one

C13H14FNO — CID 79050327

IUPAC2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(F)cc(C)c2c(=O)c1C
InChIInChI=1S/C13H14FNO/c1-4-10-8(3)13(16)12-7(2)5-9(14)6-11(12)15-10/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyQOIZADZBIVDXST-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.85
Rot. Bonds1

About 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one

2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one (PubChem CID 79050327) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
PubChem CID79050327
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one
SMILESCCc1[nH]c2cc(F)cc(C)c2c(=O)c1C
InChIInChI=1S/C13H14FNO/c1-4-10-8(3)13(16)12-7(2)5-9(14)6-11(12)15-10/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyQOIZADZBIVDXST-UHFFFAOYSA-N
XLogP2.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one (CID 79050327) is 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one is CCc1[nH]c2cc(F)cc(C)c2c(=O)c1C.
What is the InChIKey of 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one?
The InChIKey is QOIZADZBIVDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-4-10-8(3)13(16)12-7(2)5-9(14)6-11(12)15-10/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one?
2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one has a molecular weight of 219.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-3,5-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 79050327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).