6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one

C48H44F6N6O8 — CID 162209874

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one (PubChem CID 162209874) has the molecular formula C48H44F6N6O8 and a molecular weight of 946.90 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one
• PubChem CID: 162209874
• Molecular Formula: C48H44F6N6O8
• Molecular Weight: 946.90 g/mol
• Exact Mass: 946.31
• IUPAC Name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one
• SMILES: CCOC(c1cc2cc(-c3c(C)noc3C)c(OC)cc2n(Cc2ccccn2)c1=O)C(F)(F)F.COc1cc2c(cc1-c1c(C)noc1C)cc(C(O)C(F)(F)F)c(=O)n2Cc1ccccn1
• InChI: InChI=1S/C25H24F3N3O4.C23H20F3N3O4/c1-5-34-23(25(26,27)28)19-11-16-10-18(22-14(2)30-35-15(22)3)21(33-4)12-20(16)31(24(19)32)13-17-8-6-7-9-29-17;1-12-20(13(2)33-28-12)16-8-14-9-17(21(30)23(24,25)26)22(31)29(18(14)10-19(16)32-3)11-15-6-4-5-7-27-15/h6-12,23H,5,13H2,1-4H3;4-10,21,30H,11H2,1-3H3
• InChIKey: ZSRWOUQNBWBWQD-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 169.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	946.90
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one?

The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one (CID 162209874) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one.

What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one?

The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one is CCOC(c1cc2cc(-c3c(C)noc3C)c(OC)cc2n(Cc2ccccn2)c1=O)C(F)(F)F.COc1cc2c(cc1-c1c(C)noc1C)cc(C(O)C(F)(F)F)c(=O)n2Cc1ccccn1.

What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one?

The InChIKey is ZSRWOUQNBWBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4.C23H20F3N3O4/c1-5-34-23(25(26,27)28)19-11-16-10-18(22-14(2)30-35-15(22)3)21(33-4)12-20(16)31(24(19)32)13-17-8-6-7-9-29-17;1-12-20(13(2)33-28-12)16-8-14-9-17(21(30)23(24,25)26)22(31)29(18(14)10-19(16)32-3)11-15-6-4-5-7-27-15/h6-12,23H,5,13H2,1-4H3;4-10,21,30H,11H2,1-3H3.

What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one?

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one has a molecular weight of 946.90 g/mol, XLogP of 9.69, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-ethoxy-2,2,2-trifluoroethyl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)quinolin-2-one is sourced from PubChem (CID 162209874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).