2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

C125H93Cl3FN19O12 — CID 158965190

About 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 158965190) has the molecular formula C125H93Cl3FN19O12 and a molecular weight of 2178.60 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
• PubChem CID: 158965190
• Molecular Formula: C125H93Cl3FN19O12
• Molecular Weight: 2178.60 g/mol
• Exact Mass: 2175.63
• IUPAC Name: 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
• SMILES: COc1ccc2c(c1)N(c1nc3cc(C(=O)O)ccc3nc1-c1ccccc1)CCC2.O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4ccc(F)cc43)nc2c1
• InChI: InChI=1S/C26H17Cl2N3O3.C25H18ClN5O2.C25H19N5O2.C25H21N3O3.C24H18FN3O2/c27-17-4-7-21-14(10-17)2-1-9-31(21)25-24(23-13-16-11-18(28)5-8-22(16)34-23)29-19-6-3-15(26(32)33)12-20(19)30-25;26-18-5-8-22-14(11-18)2-1-9-31(22)24-23(15-3-6-19-17(10-15)13-27-30-19)28-20-7-4-16(25(32)33)12-21(20)29-24;31-25(32)17-8-10-20-21(13-17)28-24(30-11-3-5-15-4-1-2-6-22(15)30)23(27-20)16-7-9-19-18(12-16)14-26-29-19;1-31-19-11-9-16-8-5-13-28(22(16)15-19)24-23(17-6-3-2-4-7-17)26-20-12-10-18(25(29)30)14-21(20)27-24;25-18-10-8-15-7-4-12-28(21(15)14-18)23-22(16-5-2-1-3-6-16)26-19-11-9-17(24(29)30)13-20(19)27-23/h3-8,10-13H,1-2,9H2,(H,32,33);3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33);1-2,4,6-10,12-14H,3,5,11H2,(H,26,29)(H,31,32);2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30);1-3,5-6,8-11,13-14H,4,7,12H2,(H,29,30)
• InChIKey: JNCOGVGIJIYYPQ-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 411.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.60
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 158965190) is 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is COc1ccc2c(c1)N(c1nc3cc(C(=O)O)ccc3nc1-c1ccccc1)CCC2.O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4ccc(F)cc43)nc2c1.

What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The InChIKey is JNCOGVGIJIYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3O3.C25H18ClN5O2.C25H19N5O2.C25H21N3O3.C24H18FN3O2/c27-17-4-7-21-14(10-17)2-1-9-31(21)25-24(23-13-16-11-18(28)5-8-22(16)34-23)29-19-6-3-15(26(32)33)12-20(19)30-25;26-18-5-8-22-14(11-18)2-1-9-31(22)24-23(15-3-6-19-17(10-15)13-27-30-19)28-20-7-4-16(25(32)33)12-21(20)29-24;31-25(32)17-8-10-20-21(13-17)28-24(30-11-3-5-15-4-1-2-6-22(15)30)23(27-20)16-7-9-19-18(12-16)14-26-29-19;1-31-19-11-9-16-8-5-13-28(22(16)15-19)24-23(17-6-3-2-4-7-17)26-20-12-10-18(25(29)30)14-21(20)27-24;25-18-10-8-15-7-4-12-28(21(15)14-18)23-22(16-5-2-1-3-6-16)26-19-11-9-17(24(29)30)13-20(19)27-23/h3-8,10-13H,1-2,9H2,(H,32,33);3-8,10-13H,1-2,9H2,(H,27,30)(H,32,33);1-2,4,6-10,12-14H,3,5,11H2,(H,26,29)(H,31,32);2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,29,30);1-3,5-6,8-11,13-14H,4,7,12H2,(H,29,30).

What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 2178.60 g/mol, XLogP of 28.00, 16 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 158965190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).