2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one

C11H10F3N3O — CID 136900820

IUPAC2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H10F3N3O/c1-5(15)9-16-8-3-2-6(11(12,13)14)4-7(8)10(18)17-9/h2-5H,15H2,1H3,(H,16,17,18)
InChIKeyZAKQYSUOLORSOX-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.96
Rot. Bonds1

About 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one

2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 136900820) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID136900820
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCC(N)c1nc2ccc(C(F)(F)F)cc2c(=O)[nH]1
InChIInChI=1S/C11H10F3N3O/c1-5(15)9-16-8-3-2-6(11(12,13)14)4-7(8)10(18)17-9/h2-5H,15H2,1H3,(H,16,17,18)
InChIKeyZAKQYSUOLORSOX-UHFFFAOYSA-N
XLogP1.96
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one (CID 136900820) is 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one is CC(N)c1nc2ccc(C(F)(F)F)cc2c(=O)[nH]1.
What is the InChIKey of 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is ZAKQYSUOLORSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-5(15)9-16-8-3-2-6(11(12,13)14)4-7(8)10(18)17-9/h2-5H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 257.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136900820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).