6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one

C21H16F3N3O3 — CID 118224696

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F
InChIInChI=1S/C21H16F3N3O3/c1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24/h3-10H,11H2,1-2H3
InChIKeyLXJALZKCPQXVIU-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.62
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one (PubChem CID 118224696) has the molecular formula C21H16F3N3O3 and a molecular weight of 415.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
PubChem CID118224696
Molecular FormulaC21H16F3N3O3
Molecular Weight415.37 g/mol
Exact Mass415.11
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one
SMILESCc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F
InChIInChI=1S/C21H16F3N3O3/c1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24/h3-10H,11H2,1-2H3
InChIKeyLXJALZKCPQXVIU-UHFFFAOYSA-N
XLogP4.62
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-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-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one (CID 118224696) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one is Cc1noc(C)c1-c1cc2ccc(=O)n(Cc3ccccn3)c2cc1OC(F)(F)F.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
The InChIKey is LXJALZKCPQXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3/c1-12-20(13(2)30-26-12)16-9-14-6-7-19(28)27(11-15-5-3-4-8-25-15)17(14)10-18(16)29-21(22,23)24/h3-10H,11H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one has a molecular weight of 415.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)-7-(trifluoromethoxy)quinolin-2-one is sourced from PubChem (CID 118224696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).