6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate

C53H46F9N5O5 — CID 158227029

About 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate

6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate (PubChem CID 158227029) has the molecular formula C53H46F9N5O5 and a molecular weight of 1003.96 g/mol. Its IUPAC name is 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
• PubChem CID: 158227029
• Molecular Formula: C53H46F9N5O5
• Molecular Weight: 1003.96 g/mol
• Exact Mass: 1003.34
• IUPAC Name: 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
• SMILES: CCOC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12
• InChI: InChI=1S/C21H18F3N3O.C17H16F3NO2.C15H12F3NO2/c1-12-8-18(20(28)26-11-15-4-2-3-7-25-15)27-19-16(12)9-14(13-5-6-13)10-17(19)21(22,23)24;1-3-23-16(22)14-6-9(2)12-7-11(10-4-5-10)8-13(15(12)21-14)17(18,19)20;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18/h2-4,7-10,13H,5-6,11H2,1H3,(H,26,28);6-8,10H,3-5H2,1-2H3;4-6,8H,2-3H2,1H3,(H,20,21)
• InChIKey: GDXMIALOGQWJOY-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 144.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.96
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate (CID 158227029) is 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate.

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

The canonical SMILES for 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate is CCOC(=O)c1cc(C)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C3CC3)cc12.Cc1cc(C(=O)O)nc2c(C(F)(F)F)cc(C3CC3)cc12.

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

The InChIKey is GDXMIALOGQWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O.C17H16F3NO2.C15H12F3NO2/c1-12-8-18(20(28)26-11-15-4-2-3-7-25-15)27-19-16(12)9-14(13-5-6-13)10-17(19)21(22,23)24;1-3-23-16(22)14-6-9(2)12-7-11(10-4-5-10)8-13(15(12)21-14)17(18,19)20;1-7-4-12(14(20)21)19-13-10(7)5-9(8-2-3-8)6-11(13)15(16,17)18/h2-4,7-10,13H,5-6,11H2,1H3,(H,26,28);6-8,10H,3-5H2,1-2H3;4-6,8H,2-3H2,1H3,(H,20,21).

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

6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate has a molecular weight of 1003.96 g/mol, XLogP of 13.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate is sourced from PubChem (CID 158227029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).