3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one

C12H12F2N2O — CID 90222726

IUPAC3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)F)c(C)nc12
InChIInChI=1S/C12H12F2N2O/c1-7-4-3-5-9-11(7)15-8(2)16(12(9)17)6-10(13)14/h3-5,10H,6H2,1-2H3
InChIKeyDRIPYOIZQOKXAR-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.28
Rot. Bonds2

About 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one

3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one (PubChem CID 90222726) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one
PubChem CID90222726
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)F)c(C)nc12
InChIInChI=1S/C12H12F2N2O/c1-7-4-3-5-9-11(7)15-8(2)16(12(9)17)6-10(13)14/h3-5,10H,6H2,1-2H3
InChIKeyDRIPYOIZQOKXAR-UHFFFAOYSA-N
XLogP2.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one (CID 90222726) is 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one is Cc1cccc2c(=O)n(CC(F)F)c(C)nc12.
What is the InChIKey of 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one?
The InChIKey is DRIPYOIZQOKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-4-3-5-9-11(7)15-8(2)16(12(9)17)6-10(13)14/h3-5,10H,6H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one?
3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one has a molecular weight of 238.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-2,8-dimethylquinazolin-4-one is sourced from PubChem (CID 90222726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).