6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate

C67H56F12N6O10 — CID 159603872

About 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate

6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate (PubChem CID 159603872) has the molecular formula C67H56F12N6O10 and a molecular weight of 1333.19 g/mol. Its IUPAC name is 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
• PubChem CID: 159603872
• Molecular Formula: C67H56F12N6O10
• Molecular Weight: 1333.19 g/mol
• Exact Mass: 1332.39
• IUPAC Name: 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
• SMILES: C=C(C)c1cc(C(F)(F)F)c2nc(C(=O)OCC)cc(C)c2c1.CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)O)cc(C)c2c1.CCOC(=O)c1cc(C)c2cc(C(C)=O)cc(C(F)(F)F)c2n1
• InChI: InChI=1S/C20H16F3N3O2.C17H16F3NO2.C16H14F3NO3.C14H10F3NO3/c1-11-7-17(19(28)25-10-14-5-3-4-6-24-14)26-18-15(11)8-13(12(2)27)9-16(18)20(21,22)23;1-5-23-16(22)14-6-10(4)12-7-11(9(2)3)8-13(15(12)21-14)17(18,19)20;1-4-23-15(22)13-5-8(2)11-6-10(9(3)21)7-12(14(11)20-13)16(17,18)19;1-6-3-11(13(20)21)18-12-9(6)4-8(7(2)19)5-10(12)14(15,16)17/h3-9H,10H2,1-2H3,(H,25,28);6-8H,2,5H2,1,3-4H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,20,21)
• InChIKey: MLVCUICLHNBGRE-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 234.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.19
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate?

The IUPAC name of 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate (CID 159603872) is 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate.

What is the SMILES notation for 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate?

The canonical SMILES for 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate is C=C(C)c1cc(C(F)(F)F)c2nc(C(=O)OCC)cc(C)c2c1.CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)NCc3ccccn3)cc(C)c2c1.CC(=O)c1cc(C(F)(F)F)c2nc(C(=O)O)cc(C)c2c1.CCOC(=O)c1cc(C)c2cc(C(C)=O)cc(C(F)(F)F)c2n1.

What is the InChIKey of 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate?

The InChIKey is MLVCUICLHNBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2.C17H16F3NO2.C16H14F3NO3.C14H10F3NO3/c1-11-7-17(19(28)25-10-14-5-3-4-6-24-14)26-18-15(11)8-13(12(2)27)9-16(18)20(21,22)23;1-5-23-16(22)14-6-10(4)12-7-11(9(2)3)8-13(15(12)21-14)17(18,19)20;1-4-23-15(22)13-5-8(2)11-6-10(9(3)21)7-12(14(11)20-13)16(17,18)19;1-6-3-11(13(20)21)18-12-9(6)4-8(7(2)19)5-10(12)14(15,16)17/h3-9H,10H2,1-2H3,(H,25,28);6-8H,2,5H2,1,3-4H3;5-7H,4H2,1-3H3;3-5H,1-2H3,(H,20,21).

What are the key properties of 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate?

6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate has a molecular weight of 1333.19 g/mol, XLogP of 16.27, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate is sourced from PubChem (CID 159603872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).