6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

C17H12BrF3N2O — CID 1270364

IUPAC6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12BrF3N2O/c1-2-15-22-13-8-7-10(18)9-11(13)16(24)23(15)14-6-4-3-5-12(14)17(19,20)21/h3-9H,2H2,1H3
InChIKeyUDXRCULMWYBXQF-UHFFFAOYSA-N
MW397.19 g/mol
LogP4.73
Rot. Bonds2

About 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 1270364) has the molecular formula C17H12BrF3N2O and a molecular weight of 397.19 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID1270364
Molecular FormulaC17H12BrF3N2O
Molecular Weight397.19 g/mol
Exact Mass396.01
IUPAC Name6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12BrF3N2O/c1-2-15-22-13-8-7-10(18)9-11(13)16(24)23(15)14-6-4-3-5-12(14)17(19,20)21/h3-9H,2H2,1H3
InChIKeyUDXRCULMWYBXQF-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one (CID 1270364) is 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one is CCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is UDXRCULMWYBXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrF3N2O/c1-2-15-22-13-8-7-10(18)9-11(13)16(24)23(15)14-6-4-3-5-12(14)17(19,20)21/h3-9H,2H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one?
6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 397.19 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 1270364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).