6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

C18H15ClF4N2O — CID 11855103

IUPAC6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2c(ccc(Cl)c2F)NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H15ClF4N2O/c1-2-17(11-6-4-3-5-7-11)14-13(9-8-12(19)15(14)20)24-16(26)25(17)10-18(21,22)23/h3-9H,2,10H2,1H3,(H,24,26)
InChIKeyXRNUPDRRNVXZBE-UHFFFAOYSA-N
MW386.78 g/mol
LogP5.54
Rot. Bonds3

About 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (PubChem CID 11855103) has the molecular formula C18H15ClF4N2O and a molecular weight of 386.78 g/mol. Its IUPAC name is 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
PubChem CID11855103
Molecular FormulaC18H15ClF4N2O
Molecular Weight386.78 g/mol
Exact Mass386.08
IUPAC Name6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2c(ccc(Cl)c2F)NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H15ClF4N2O/c1-2-17(11-6-4-3-5-7-11)14-13(9-8-12(19)15(14)20)24-16(26)25(17)10-18(21,22)23/h3-9H,2,10H2,1H3,(H,24,26)
InChIKeyXRNUPDRRNVXZBE-UHFFFAOYSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-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 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The IUPAC name of 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (CID 11855103) is 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is CCC1(c2ccccc2)c2c(ccc(Cl)c2F)NC(=O)N1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The InChIKey is XRNUPDRRNVXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF4N2O/c1-2-17(11-6-4-3-5-7-11)14-13(9-8-12(19)15(14)20)24-16(26)25(17)10-18(21,22)23/h3-9H,2,10H2,1H3,(H,24,26).
What are the key properties of 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one has a molecular weight of 386.78 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-5-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 11855103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).