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

C11H9F3N2O — CID 71154686

IUPAC4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one
SMILESCCc1[nH]c(=O)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)16-10(17)15-8/h3-5H,2H2,1H3,(H,15,16,17)
InChIKeyUKSYDQDPDICZOS-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.50
Rot. Bonds1

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

4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one (PubChem CID 71154686) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one
PubChem CID71154686
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one
SMILESCCc1[nH]c(=O)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2O/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)16-10(17)15-8/h3-5H,2H2,1H3,(H,15,16,17)
InChIKeyUKSYDQDPDICZOS-UHFFFAOYSA-N
XLogP2.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one?
The IUPAC name of 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one (CID 71154686) is 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one.
What is the SMILES notation for 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one?
The canonical SMILES for 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one is CCc1[nH]c(=O)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one?
The InChIKey is UKSYDQDPDICZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)16-10(17)15-8/h3-5H,2H2,1H3,(H,15,16,17).
What are the key properties of 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one?
4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one has a molecular weight of 242.20 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-(trifluoromethyl)-3H-quinazolin-2-one is sourced from PubChem (CID 71154686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).