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

C11H10F2N2O — CID 71007476

IUPAC3-(2,2-difluoroethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)F)cnc12
InChIInChI=1S/C11H10F2N2O/c1-7-3-2-4-8-10(7)14-6-15(11(8)16)5-9(12)13/h2-4,6,9H,5H2,1H3
InChIKeyRNLFZFKALHUWGD-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.97
Rot. Bonds2

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

3-(2,2-difluoroethyl)-8-methylquinazolin-4-one (PubChem CID 71007476) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-8-methylquinazolin-4-one
PubChem CID71007476
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-(2,2-difluoroethyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)F)cnc12
InChIInChI=1S/C11H10F2N2O/c1-7-3-2-4-8-10(7)14-6-15(11(8)16)5-9(12)13/h2-4,6,9H,5H2,1H3
InChIKeyRNLFZFKALHUWGD-UHFFFAOYSA-N
XLogP1.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.97
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)-8-methylquinazolin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one (CID 71007476) is 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CC(F)F)cnc12.
What is the InChIKey of 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one?
The InChIKey is RNLFZFKALHUWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-7-3-2-4-8-10(7)14-6-15(11(8)16)5-9(12)13/h2-4,6,9H,5H2,1H3.
What are the key properties of 3-(2,2-difluoroethyl)-8-methylquinazolin-4-one?
3-(2,2-difluoroethyl)-8-methylquinazolin-4-one has a molecular weight of 224.21 g/mol, XLogP of 1.97, 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)-8-methylquinazolin-4-one is sourced from PubChem (CID 71007476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).