3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one

C12H13FN2O — CID 118670739

IUPAC3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one
SMILESCCn1c(C)nc2ccc(C)c(F)c2c1=O
InChIInChI=1S/C12H13FN2O/c1-4-15-8(3)14-9-6-5-7(2)11(13)10(9)12(15)16/h5-6H,4H2,1-3H3
InChIKeyWMUUCLDHBZSHJD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.17
Rot. Bonds1

About 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one

3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one (PubChem CID 118670739) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one
PubChem CID118670739
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one
SMILESCCn1c(C)nc2ccc(C)c(F)c2c1=O
InChIInChI=1S/C12H13FN2O/c1-4-15-8(3)14-9-6-5-7(2)11(13)10(9)12(15)16/h5-6H,4H2,1-3H3
InChIKeyWMUUCLDHBZSHJD-UHFFFAOYSA-N
XLogP2.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one?
The IUPAC name of 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one (CID 118670739) is 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one.
What is the SMILES notation for 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one?
The canonical SMILES for 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one is CCn1c(C)nc2ccc(C)c(F)c2c1=O.
What is the InChIKey of 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one?
The InChIKey is WMUUCLDHBZSHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-4-15-8(3)14-9-6-5-7(2)11(13)10(9)12(15)16/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one?
3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one has a molecular weight of 220.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2,6-dimethylquinazolin-4-one is sourced from PubChem (CID 118670739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).