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

C133H95Cl2F4N17O15 — CID 159992970

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

2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 159992970) has the molecular formula C133H95Cl2F4N17O15 and a molecular weight of 2318.22 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
• PubChem CID: 159992970
• Molecular Formula: C133H95Cl2F4N17O15
• Molecular Weight: 2318.22 g/mol
• Exact Mass: 2315.65
• IUPAC Name: 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
• SMILES: COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2[nH]1.O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4o3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(OC=C(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4[nH]3)c(N3CCCc4ccccc43)nc2c1
• InChI: InChI=1S/C28H18F3N3O4.C27H22N4O3.C26H17ClFN3O3.C26H18ClN3O3.C26H20N4O2/c29-18-4-8-23-17(10-18)13-24(38-23)26-27(33-21-12-16(28(35)36)3-6-20(21)32-26)34-9-1-2-15-11-19(5-7-22(15)34)37-14-25(30)31;1-34-19-9-11-24-17(13-19)6-4-12-31(24)26-25(23-14-16-5-2-3-7-20(16)28-23)29-21-10-8-18(27(32)33)15-22(21)30-26;27-17-4-7-21-14(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;27-18-8-10-22-17(12-18)14-23(33-22)24-25(30-11-3-5-15-4-1-2-6-21(15)30)29-20-13-16(26(31)32)7-9-19(20)28-24;31-26(32)18-11-12-20-21(15-18)29-25(30-13-5-8-16-6-2-4-10-23(16)30)24(28-20)22-14-17-7-1-3-9-19(17)27-22/h3-8,10-14H,1-2,9H2,(H,35,36);2-3,5,7-11,13-15,28H,4,6,12H2,1H3,(H,32,33);3-8,10-13H,1-2,9H2,(H,32,33);1-2,4,6-10,12-14H,3,5,11H2,(H,31,32);1-4,6-7,9-12,14-15,27H,5,8,13H2,(H,31,32)
• InChIKey: OHEKFMSHAQNGHT-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 421.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.22
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (CID 159992970) is 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.

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

The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2[nH]1.O=C(O)c1ccc2nc(-c3cc4cc(Cl)ccc4o3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4cc(OC=C(F)F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3cc4ccccc4[nH]3)c(N3CCCc4ccccc43)nc2c1.

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

The InChIKey is OHEKFMSHAQNGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3N3O4.C27H22N4O3.C26H17ClFN3O3.C26H18ClN3O3.C26H20N4O2/c29-18-4-8-23-17(10-18)13-24(38-23)26-27(33-21-12-16(28(35)36)3-6-20(21)32-26)34-9-1-2-15-11-19(5-7-22(15)34)37-14-25(30)31;1-34-19-9-11-24-17(13-19)6-4-12-31(24)26-25(23-14-16-5-2-3-7-20(16)28-23)29-21-10-8-18(27(32)33)15-22(21)30-26;27-17-4-7-21-14(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;27-18-8-10-22-17(12-18)14-23(33-22)24-25(30-11-3-5-15-4-1-2-6-21(15)30)29-20-13-16(26(31)32)7-9-19(20)28-24;31-26(32)18-11-12-20-21(15-18)29-25(30-13-5-8-16-6-2-4-10-23(16)30)24(28-20)22-14-17-7-1-3-9-19(17)27-22/h3-8,10-14H,1-2,9H2,(H,35,36);2-3,5,7-11,13-15,28H,4,6,12H2,1H3,(H,32,33);3-8,10-13H,1-2,9H2,(H,32,33);1-2,4,6-10,12-14H,3,5,11H2,(H,31,32);1-4,6-7,9-12,14-15,27H,5,8,13H2,(H,31,32).

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

2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 2318.22 g/mol, XLogP of 31.31, 18 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-[6-(2,2-difluoroethenoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(5-fluoro-1-benzofuran-2-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(1H-indol-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 159992970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).