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

C10H6BrF3N2O — CID 90004402

IUPAC8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCn1c(C(F)(F)F)nc2c(Br)cccc2c1=O
InChIInChI=1S/C10H6BrF3N2O/c1-16-8(17)5-3-2-4-6(11)7(5)15-9(16)10(12,13)14/h2-4H,1H3
InChIKeyIHUHDOJKORLFQX-UHFFFAOYSA-N
MW307.07 g/mol
LogP2.71
Rot. Bonds

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

8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one (PubChem CID 90004402) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
PubChem CID90004402
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one
SMILESCn1c(C(F)(F)F)nc2c(Br)cccc2c1=O
InChIInChI=1S/C10H6BrF3N2O/c1-16-8(17)5-3-2-4-6(11)7(5)15-9(16)10(12,13)14/h2-4H,1H3
InChIKeyIHUHDOJKORLFQX-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-bromo-3-methyl-2-(trifluoromethyl)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 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one (CID 90004402) is 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one is Cn1c(C(F)(F)F)nc2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one?
The InChIKey is IHUHDOJKORLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c1-16-8(17)5-3-2-4-6(11)7(5)15-9(16)10(12,13)14/h2-4H,1H3.
What are the key properties of 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one?
8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one has a molecular weight of 307.07 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-2-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 90004402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).