8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one

C11H9F3N2O — CID 71007472

IUPAC8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)(F)F)cnc12
InChIInChI=1S/C11H9F3N2O/c1-7-3-2-4-8-9(7)15-6-16(10(8)17)5-11(12,13)14/h2-4,6H,5H2,1H3
InChIKeyOIWIGBQUWFAKCR-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.27
Rot. Bonds1

About 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one

8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one (PubChem CID 71007472) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one
PubChem CID71007472
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(F)(F)F)cnc12
InChIInChI=1S/C11H9F3N2O/c1-7-3-2-4-8-9(7)15-6-16(10(8)17)5-11(12,13)14/h2-4,6H,5H2,1H3
InChIKeyOIWIGBQUWFAKCR-UHFFFAOYSA-N
XLogP2.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The IUPAC name of 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one (CID 71007472) is 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The canonical SMILES for 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one is Cc1cccc2c(=O)n(CC(F)(F)F)cnc12.
What is the InChIKey of 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
The InChIKey is OIWIGBQUWFAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-7-3-2-4-8-9(7)15-6-16(10(8)17)5-11(12,13)14/h2-4,6H,5H2,1H3.
What are the key properties of 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one?
8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2,2,2-trifluoroethyl)quinazolin-4-one is sourced from PubChem (CID 71007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).