3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one

C11H9F3N2O — CID 71007506

IUPAC3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N2O/c1-6-4-3-5-7-8(6)15-10(11(12,13)14)16(2)9(7)17/h3-5H,1-2H3
InChIKeyFBMAERJMNVUDQY-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.26
Rot. Bonds

About 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one

3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one (PubChem CID 71007506) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one
PubChem CID71007506
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCc1cccc2c(=O)n(C)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N2O/c1-6-4-3-5-7-8(6)15-10(11(12,13)14)16(2)9(7)17/h3-5H,1-2H3
InChIKeyFBMAERJMNVUDQY-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one (CID 71007506) is 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one is Cc1cccc2c(=O)n(C)c(C(F)(F)F)nc12.
What is the InChIKey of 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one?
The InChIKey is FBMAERJMNVUDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-6-4-3-5-7-8(6)15-10(11(12,13)14)16(2)9(7)17/h3-5H,1-2H3.
What are the key properties of 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one?
3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one has a molecular weight of 242.20 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-2-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 71007506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).