2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

C132H94Cl2F7N15O17 — CID 157353701

About 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (PubChem CID 157353701) has the molecular formula C132H94Cl2F7N15O17 and a molecular weight of 2366.18 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• PubChem CID: 157353701
• Molecular Formula: C132H94Cl2F7N15O17
• Molecular Weight: 2366.18 g/mol
• Exact Mass: 2363.62
• IUPAC Name: 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• SMILES: O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(Cl)cc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4ccc(Cl)cc43)nc2c1
• InChI: InChI=1S/C27H20F3N3O4.C27H18F3N3O3.C26H20ClN3O4.C26H18ClN3O3.C26H18FN3O3/c28-27(29,30)18-5-7-21-15(12-18)2-1-9-33(21)25-24(16-4-8-22-23(14-16)37-11-10-36-22)31-19-6-3-17(26(34)35)13-20(19)32-25;28-27(29,30)18-8-10-21-15(12-18)5-3-11-33(21)25-24(23-14-16-4-1-2-6-22(16)36-23)31-19-9-7-17(26(34)35)13-20(19)32-25;27-18-6-3-15-2-1-9-30(21(15)14-18)25-24(16-5-8-22-23(13-16)34-11-10-33-22)28-19-7-4-17(26(31)32)12-20(19)29-25;2*27-18-9-7-15-5-3-11-30(21(15)14-18)25-24(23-13-16-4-1-2-6-22(16)33-23)28-19-10-8-17(26(31)32)12-20(19)29-25/h3-8,12-14H,1-2,9-11H2,(H,34,35);1-2,4,6-10,12-14H,3,5,11H2,(H,34,35);3-8,12-14H,1-2,9-11H2,(H,31,32);2*1-2,4,6-10,12-14H,3,5,11H2,(H,31,32)
• InChIKey: BHVDTZXMWJUFEJ-UHFFFAOYSA-N
• XLogP: 30.66
• TPSA: 407.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2366.18
LogP ≤ 5	30.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The IUPAC name of 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (CID 157353701) is 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid.

What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The canonical SMILES for 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(Cl)cc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4ccc(F)cc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4cc(C(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4ccc(Cl)cc43)nc2c1.

What is the InChIKey of 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The InChIKey is BHVDTZXMWJUFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O4.C27H18F3N3O3.C26H20ClN3O4.C26H18ClN3O3.C26H18FN3O3/c28-27(29,30)18-5-7-21-15(12-18)2-1-9-33(21)25-24(16-4-8-22-23(14-16)37-11-10-36-22)31-19-6-3-17(26(34)35)13-20(19)32-25;28-27(29,30)18-8-10-21-15(12-18)5-3-11-33(21)25-24(23-14-16-4-1-2-6-22(16)36-23)31-19-9-7-17(26(34)35)13-20(19)32-25;27-18-6-3-15-2-1-9-30(21(15)14-18)25-24(16-5-8-22-23(13-16)34-11-10-33-22)28-19-7-4-17(26(31)32)12-20(19)29-25;2*27-18-9-7-15-5-3-11-30(21(15)14-18)25-24(23-13-16-4-1-2-6-22(16)33-23)28-19-10-8-17(26(31)32)12-20(19)29-25/h3-8,12-14H,1-2,9-11H2,(H,34,35);1-2,4,6-10,12-14H,3,5,11H2,(H,34,35);3-8,12-14H,1-2,9-11H2,(H,31,32);2*1-2,4,6-10,12-14H,3,5,11H2,(H,31,32).

What are the key properties of 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid has a molecular weight of 2366.18 g/mol, XLogP of 30.66, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 157353701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).