2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

C131H93F12N21O15 — CID 158594663

About 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (PubChem CID 158594663) has the molecular formula C131H93F12N21O15 and a molecular weight of 2429.29 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• PubChem CID: 158594663
• Molecular Formula: C131H93F12N21O15
• Molecular Weight: 2429.29 g/mol
• Exact Mass: 2427.70
• IUPAC Name: 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• SMILES: Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(F)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(OC(F)(F)F)ccc43)cc12.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(OC(F)F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccc(F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OC(F)(F)O4)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1
• InChI: InChI=1S/C27H20F3N5O3.C27H19F2N3O4.C26H16F5N3O4.C26H20FN5O2.C25H18FN5O2/c1-14-19-12-16(4-7-20(19)34-33-14)24-25(32-22-13-17(26(36)37)5-8-21(22)31-24)35-10-2-3-15-11-18(6-9-23(15)35)38-27(28,29)30;28-27(29)35-18-9-7-15-5-3-11-32(21(15)14-18)25-24(23-13-16-4-1-2-6-22(16)36-23)30-19-10-8-17(26(33)34)12-20(19)31-25;27-25(28,29)16-5-7-19-13(10-16)2-1-9-34(19)23-22(14-4-8-20-21(12-14)38-26(30,31)37-20)32-17-6-3-15(24(35)36)11-18(17)33-23;1-14-19-12-16(4-7-20(19)31-30-14)24-25(29-22-13-17(26(33)34)5-8-21(22)28-24)32-10-2-3-15-11-18(27)6-9-23(15)32;26-18-6-3-14-2-1-9-31(22(14)12-18)24-23(15-4-7-19-17(10-15)13-27-30-19)28-20-8-5-16(25(32)33)11-21(20)29-24/h4-9,11-13H,2-3,10H2,1H3,(H,33,34)(H,36,37);1-2,4,6-10,12-14,27H,3,5,11H2,(H,33,34);3-8,10-12H,1-2,9H2,(H,35,36);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33)
• InChIKey: HUWJOKDOSUXYDZ-UHFFFAOYSA-N
• XLogP: 29.51
• TPSA: 467.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.29
LogP ≤ 5	29.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (CID 158594663) is 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(F)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(OC(F)(F)F)ccc43)cc12.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(OC(F)F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccc(F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OC(F)(F)O4)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1.

What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The InChIKey is HUWJOKDOSUXYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N5O3.C27H19F2N3O4.C26H16F5N3O4.C26H20FN5O2.C25H18FN5O2/c1-14-19-12-16(4-7-20(19)34-33-14)24-25(32-22-13-17(26(36)37)5-8-21(22)31-24)35-10-2-3-15-11-18(6-9-23(15)35)38-27(28,29)30;28-27(29)35-18-9-7-15-5-3-11-32(21(15)14-18)25-24(23-13-16-4-1-2-6-22(16)36-23)30-19-10-8-17(26(33)34)12-20(19)31-25;27-25(28,29)16-5-7-19-13(10-16)2-1-9-34(19)23-22(14-4-8-20-21(12-14)38-26(30,31)37-20)32-17-6-3-15(24(35)36)11-18(17)33-23;1-14-19-12-16(4-7-20(19)31-30-14)24-25(29-22-13-17(26(33)34)5-8-21(22)28-24)32-10-2-3-15-11-18(27)6-9-23(15)32;26-18-6-3-14-2-1-9-31(22(14)12-18)24-23(15-4-7-19-17(10-15)13-27-30-19)28-20-8-5-16(25(32)33)11-21(20)29-24/h4-9,11-13H,2-3,10H2,1H3,(H,33,34)(H,36,37);1-2,4,6-10,12-14,27H,3,5,11H2,(H,33,34);3-8,10-12H,1-2,9H2,(H,35,36);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33).

What are the key properties of 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid has a molecular weight of 2429.29 g/mol, XLogP of 29.51, 18 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 158594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).