3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one

C12H11F3N2O — CID 90048575

IUPAC3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCCn1c(C(F)(F)F)nc2c(C)cccc2c1=O
InChIInChI=1S/C12H11F3N2O/c1-3-17-10(18)8-6-4-5-7(2)9(8)16-11(17)12(13,14)15/h4-6H,3H2,1-2H3
InChIKeyDJMOZUDURFTCKZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.74
Rot. Bonds1

About 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one

3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one (PubChem CID 90048575) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one
PubChem CID90048575
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCCn1c(C(F)(F)F)nc2c(C)cccc2c1=O
InChIInChI=1S/C12H11F3N2O/c1-3-17-10(18)8-6-4-5-7(2)9(8)16-11(17)12(13,14)15/h4-6H,3H2,1-2H3
InChIKeyDJMOZUDURFTCKZ-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one (CID 90048575) is 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one is CCn1c(C(F)(F)F)nc2c(C)cccc2c1=O.
What is the InChIKey of 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one?
The InChIKey is DJMOZUDURFTCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-3-17-10(18)8-6-4-5-7(2)9(8)16-11(17)12(13,14)15/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one?
3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one has a molecular weight of 256.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-2-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 90048575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).