2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one

C12H11F2NO2 — CID 55127526

IUPAC2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C12H11F2NO2/c1-6-3-4-9(17-2)11-10(6)8(16)5-7(15-11)12(13)14/h3-5,12H,1-2H3,(H,15,16)
InChIKeyOCDHJJQXJLYUHW-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.78
Rot. Bonds2

About 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one

2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one (PubChem CID 55127526) has the molecular formula C12H11F2NO2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
PubChem CID55127526
Molecular FormulaC12H11F2NO2
Molecular Weight239.22 g/mol
Exact Mass239.08
IUPAC Name2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C12H11F2NO2/c1-6-3-4-9(17-2)11-10(6)8(16)5-7(15-11)12(13)14/h3-5,12H,1-2H3,(H,15,16)
InChIKeyOCDHJJQXJLYUHW-UHFFFAOYSA-N
XLogP2.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one (CID 55127526) is 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one is COc1ccc(C)c2c(=O)cc(C(F)F)[nH]c12.
What is the InChIKey of 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one?
The InChIKey is OCDHJJQXJLYUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2/c1-6-3-4-9(17-2)11-10(6)8(16)5-7(15-11)12(13)14/h3-5,12H,1-2H3,(H,15,16).
What are the key properties of 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one?
2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one has a molecular weight of 239.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-8-methoxy-5-methyl-1H-quinolin-4-one is sourced from PubChem (CID 55127526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).