3-(2-fluoroethyl)-8-methylquinazolin-4-one

C11H11FN2O — CID 71007475

IUPAC3-(2-fluoroethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCF)cnc12
InChIInChI=1S/C11H11FN2O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6H2,1H3
InChIKeyJFRYKKRWLSEZFU-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.67
Rot. Bonds2

About 3-(2-fluoroethyl)-8-methylquinazolin-4-one

3-(2-fluoroethyl)-8-methylquinazolin-4-one (PubChem CID 71007475) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)-8-methylquinazolin-4-one
PubChem CID71007475
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-(2-fluoroethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CCF)cnc12
InChIInChI=1S/C11H11FN2O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6H2,1H3
InChIKeyJFRYKKRWLSEZFU-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-8-methylquinazolin-4-one?
The IUPAC name of 3-(2-fluoroethyl)-8-methylquinazolin-4-one (CID 71007475) is 3-(2-fluoroethyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-fluoroethyl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(2-fluoroethyl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CCF)cnc12.
What is the InChIKey of 3-(2-fluoroethyl)-8-methylquinazolin-4-one?
The InChIKey is JFRYKKRWLSEZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8-3-2-4-9-10(8)13-7-14(6-5-12)11(9)15/h2-4,7H,5-6H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-8-methylquinazolin-4-one?
3-(2-fluoroethyl)-8-methylquinazolin-4-one has a molecular weight of 206.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-8-methylquinazolin-4-one is sourced from PubChem (CID 71007475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).