2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one

C12H11F2NO — CID 62892262

IUPAC2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)cc(C(F)F)[nH]c2c1
InChIInChI=1S/C12H11F2NO/c1-6-3-7(2)11-8(4-6)15-9(12(13)14)5-10(11)16/h3-5,12H,1-2H3,(H,15,16)
InChIKeyVWRFAJTVTZWGNX-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.08
Rot. Bonds1

About 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one

2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one (PubChem CID 62892262) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
PubChem CID62892262
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)cc(C(F)F)[nH]c2c1
InChIInChI=1S/C12H11F2NO/c1-6-3-7(2)11-8(4-6)15-9(12(13)14)5-10(11)16/h3-5,12H,1-2H3,(H,15,16)
InChIKeyVWRFAJTVTZWGNX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one (CID 62892262) is 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one is Cc1cc(C)c2c(=O)cc(C(F)F)[nH]c2c1.
What is the InChIKey of 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one?
The InChIKey is VWRFAJTVTZWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-6-3-7(2)11-8(4-6)15-9(12(13)14)5-10(11)16/h3-5,12H,1-2H3,(H,15,16).
What are the key properties of 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one?
2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one has a molecular weight of 223.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5,7-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 62892262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).