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

C13H14F3N3O — CID 139222876

IUPAC2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2c(C(F)(F)F)cccc2c(=O)[nH]1
InChIInChI=1S/C13H14F3N3O/c1-3-19(4-2)12-17-10-8(11(20)18-12)6-5-7-9(10)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyRTORTAVYIHKNDF-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.79
Rot. Bonds3

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

2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 139222876) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID139222876
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCCN(CC)c1nc2c(C(F)(F)F)cccc2c(=O)[nH]1
InChIInChI=1S/C13H14F3N3O/c1-3-19(4-2)12-17-10-8(11(20)18-12)6-5-7-9(10)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyRTORTAVYIHKNDF-UHFFFAOYSA-N
XLogP2.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one (CID 139222876) is 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one is CCN(CC)c1nc2c(C(F)(F)F)cccc2c(=O)[nH]1.
What is the InChIKey of 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is RTORTAVYIHKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-19(4-2)12-17-10-8(11(20)18-12)6-5-7-9(10)13(14,15)16/h5-7H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one?
2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 285.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-8-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 139222876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).