2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

C132H92Cl2F6N16O16 — CID 160565423

About 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (PubChem CID 160565423) has the molecular formula C132H92Cl2F6N16O16 and a molecular weight of 2343.18 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• PubChem CID: 160565423
• Molecular Formula: C132H92Cl2F6N16O16
• Molecular Weight: 2343.18 g/mol
• Exact Mass: 2340.62
• IUPAC Name: 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
• SMILES: COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4[nH]3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(F)ccc43)nc2c1
• InChI: InChI=1S/C27H17F4N3O4.C27H20FN3O4.C26H19ClN4O2.C26H18ClN3O3.C26H18FN3O3/c28-17-4-8-22-16(10-17)13-23(37-22)24-25(33-20-12-15(26(35)36)3-6-19(20)32-24)34-9-1-2-14-11-18(5-7-21(14)34)38-27(29,30)31;1-34-19-6-8-22-15(12-19)3-2-10-31(22)26-25(24-14-17-11-18(28)5-9-23(17)35-24)29-20-7-4-16(27(32)33)13-21(20)30-26;27-18-8-10-23-16(12-18)5-3-11-31(23)25-24(22-13-15-4-1-2-6-19(15)28-22)29-20-9-7-17(26(32)33)14-21(20)30-25;2*27-18-8-10-21-15(12-18)5-3-11-30(21)25-24(23-14-16-4-1-2-6-22(16)33-23)28-19-9-7-17(26(31)32)13-20(19)29-25/h3-8,10-13H,1-2,9H2,(H,35,36);4-9,11-14H,2-3,10H2,1H3,(H,32,33);1-2,4,6-10,12-14,28H,3,5,11H2,(H,32,33);2*1-2,4,6-10,12-14H,3,5,11H2,(H,31,32)
• InChIKey: QZVWXOFHWSIMQC-UHFFFAOYSA-N
• XLogP: 31.49
• TPSA: 418.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2343.18
LogP ≤ 5	31.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid (CID 160565423) is 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4[nH]3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4o3)c(N3CCCc4cc(F)ccc43)nc2c1.

What is the InChIKey of 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

The InChIKey is QZVWXOFHWSIMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F4N3O4.C27H20FN3O4.C26H19ClN4O2.C26H18ClN3O3.C26H18FN3O3/c28-17-4-8-22-16(10-17)13-23(37-22)24-25(33-20-12-15(26(35)36)3-6-19(20)32-24)34-9-1-2-14-11-18(5-7-21(14)34)38-27(29,30)31;1-34-19-6-8-22-15(12-19)3-2-10-31(22)26-25(24-14-17-11-18(28)5-9-23(17)35-24)29-20-7-4-16(27(32)33)13-21(20)30-26;27-18-8-10-23-16(12-18)5-3-11-31(23)25-24(22-13-15-4-1-2-6-19(15)28-22)29-20-9-7-17(26(32)33)14-21(20)30-25;2*27-18-8-10-21-15(12-18)5-3-11-30(21)25-24(23-14-16-4-1-2-6-22(16)33-23)28-19-9-7-17(26(31)32)13-20(19)29-25/h3-8,10-13H,1-2,9H2,(H,35,36);4-9,11-14H,2-3,10H2,1H3,(H,32,33);1-2,4,6-10,12-14,28H,3,5,11H2,(H,32,33);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-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid?

2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid has a molecular weight of 2343.18 g/mol, XLogP of 31.49, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 160565423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).