3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione

C15H8ClF3N2O2 — CID 17221479

IUPAC3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF3N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)21-13(22)9-3-1-2-4-12(9)20-14(21)23/h1-7H,(H,20,23)
InChIKeyIJENRPOHUVDLLG-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.35
Rot. Bonds1

About 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione

3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione (PubChem CID 17221479) has the molecular formula C15H8ClF3N2O2 and a molecular weight of 340.69 g/mol. Its IUPAC name is 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
PubChem CID17221479
Molecular FormulaC15H8ClF3N2O2
Molecular Weight340.69 g/mol
Exact Mass340.02
IUPAC Name3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1-c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C15H8ClF3N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)21-13(22)9-3-1-2-4-12(9)20-14(21)23/h1-7H,(H,20,23)
InChIKeyIJENRPOHUVDLLG-UHFFFAOYSA-N
XLogP3.35
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione 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 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione (CID 17221479) is 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1-c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is IJENRPOHUVDLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2/c16-11-7-8(5-6-10(11)15(17,18)19)21-13(22)9-3-1-2-4-12(9)20-14(21)23/h1-7H,(H,20,23).
What are the key properties of 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione?
3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 340.69 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(trifluoromethyl)phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 17221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).