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

C12H13FN2O — CID 71007354

IUPAC3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCF)c(C)nc12
InChIInChI=1S/C12H13FN2O/c1-8-4-3-5-10-11(8)14-9(2)15(7-6-13)12(10)16/h3-5H,6-7H2,1-2H3
InChIKeyXMFJJOBCHUTEKP-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.98
Rot. Bonds2

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

3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one (PubChem CID 71007354) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one
PubChem CID71007354
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCF)c(C)nc12
InChIInChI=1S/C12H13FN2O/c1-8-4-3-5-10-11(8)14-9(2)15(7-6-13)12(10)16/h3-5H,6-7H2,1-2H3
InChIKeyXMFJJOBCHUTEKP-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one?
The IUPAC name of 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one (CID 71007354) is 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one is Cc1cccc2c(=O)n(CCF)c(C)nc12.
What is the InChIKey of 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one?
The InChIKey is XMFJJOBCHUTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-4-3-5-10-11(8)14-9(2)15(7-6-13)12(10)16/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one?
3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one has a molecular weight of 220.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-2,8-dimethylquinazolin-4-one is sourced from PubChem (CID 71007354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).