2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
C185H146BrN17O20S2 — CID 158966791
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
SMILESBrc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.CCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc(CC(=O)Cc2ccc(C)cc2)cc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1CC(=O)Cc1ccc(C)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=S)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/3C28H24N2O3.C26H20N2O3.C26H20N2O2S.C25H16BrN5O2.C24H18N2O4S/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24;1-3-21-14-20(16-22(31)15-19-10-8-18(2)9-11-19)17-23-26(21)30-28(25-7-5-13-33-25)27(29-23)24-6-4-12-32-24;1-3-20-16-23-24(17-21(20)15-22(31)14-19-10-8-18(2)9-11-19)30-28(26-7-5-13-33-26)27(29-23)25-6-4-12-32-25;1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;1-17-6-8-18(9-7-17)14-20(31)15-19-10-11-21-22(16-19)28-26(24-5-3-13-30-24)25(27-21)23-4-2-12-29-23;26-17-6-8-18(9-7-17)31-15-27-30-23(31)14-16-5-10-19-20(13-16)29-25(22-4-2-12-33-22)24(28-19)21-3-1-11-32-21;1-16-6-9-18(10-7-16)31(27,28)15-17-8-11-19-20(14-17)26-24(22-5-3-13-30-22)23(25-19)21-4-2-12-29-21/h4-15H,3,16-17H2,1-2H3;4-14,17H,3,15-16H2,1-2H3;4-13,16-17H,3,14-15H2,1-2H3;2*2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-14H,15H2,1H3
InChIKeyJNHOXNUFIOFINY-UHFFFAOYSA-N
MW3071.34 g/mol
LogP43.07
Rot. Bonds43
About 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (PubChem CID 158966791) has the molecular formula C185H146BrN17O20S2 and a molecular weight of 3071.34 g/mol. Its IUPAC name is 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.
Molecular Properties
| Compound Name | 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one |
|---|---|
| PubChem CID | 158966791 |
| Molecular Formula | C185H146BrN17O20S2 |
| Molecular Weight | 3071.34 g/mol |
| Exact Mass | 3067.96 |
| IUPAC Name | 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one |
| SMILES | Brc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.CCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc(CC(=O)Cc2ccc(C)cc2)cc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1CC(=O)Cc1ccc(C)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=S)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 |
| InChI | InChI=1S/3C28H24N2O3.C26H20N2O3.C26H20N2O2S.C25H16BrN5O2.C24H18N2O4S/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24;1-3-21-14-20(16-22(31)15-19-10-8-18(2)9-11-19)17-23-26(21)30-28(25-7-5-13-33-25)27(29-23)24-6-4-12-32-24;1-3-20-16-23-24(17-21(20)15-22(31)14-19-10-8-18(2)9-11-19)30-28(26-7-5-13-33-26)27(29-23)25-6-4-12-32-25;1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;1-17-6-8-18(9-7-17)14-20(31)15-19-10-11-21-22(16-19)28-26(24-5-3-13-30-24)25(27-21)23-4-2-12-29-23;26-17-6-8-18(9-7-17)31-15-27-30-23(31)14-16-5-10-19-20(13-16)29-25(22-4-2-12-33-22)24(28-19)21-3-1-11-32-21;1-16-6-9-18(10-7-16)31(27,28)15-17-8-11-19-20(14-17)26-24(22-5-3-13-30-22)23(25-19)21-4-2-12-29-21/h4-15H,3,16-17H2,1-2H3;4-14,17H,3,15-16H2,1-2H3;4-13,16-17H,3,14-15H2,1-2H3;2*2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-14H,15H2,1H3 |
| InChIKey | JNHOXNUFIOFINY-UHFFFAOYSA-N |
| XLogP | 43.07 |
| TPSA | 497.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 225 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3071.34 |
| LogP ≤ 5 | 43.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one (CID 158966791) is 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is Brc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.CCc1c(CC(=O)Cc2ccc(C)cc2)ccc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc(CC(=O)Cc2ccc(C)cc2)cc2nc(-c3ccco3)c(-c3ccco3)nc12.CCc1cc2nc(-c3ccco3)c(-c3ccco3)nc2cc1CC(=O)Cc1ccc(C)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=S)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(S(=O)(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.
What is the InChIKey of 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
The InChIKey is JNHOXNUFIOFINY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H24N2O3.C26H20N2O3.C26H20N2O2S.C25H16BrN5O2.C24H18N2O4S/c1-3-22-20(17-21(31)16-19-10-8-18(2)9-11-19)12-13-23-26(22)30-28(25-7-5-15-33-25)27(29-23)24-6-4-14-32-24;1-3-21-14-20(16-22(31)15-19-10-8-18(2)9-11-19)17-23-26(21)30-28(25-7-5-13-33-25)27(29-23)24-6-4-12-32-24;1-3-20-16-23-24(17-21(20)15-22(31)14-19-10-8-18(2)9-11-19)30-28(26-7-5-13-33-26)27(29-23)25-6-4-12-32-25;1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23;1-17-6-8-18(9-7-17)14-20(31)15-19-10-11-21-22(16-19)28-26(24-5-3-13-30-24)25(27-21)23-4-2-12-29-23;26-17-6-8-18(9-7-17)31-15-27-30-23(31)14-16-5-10-19-20(13-16)29-25(22-4-2-12-33-22)24(28-19)21-3-1-11-32-21;1-16-6-9-18(10-7-16)31(27,28)15-17-8-11-19-20(14-17)26-24(22-5-3-13-30-22)23(25-19)21-4-2-12-29-21/h4-15H,3,16-17H2,1-2H3;4-14,17H,3,15-16H2,1-2H3;4-13,16-17H,3,14-15H2,1-2H3;2*2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-14H,15H2,1H3.
What are the key properties of 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one?
2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one has a molecular weight of 3071.34 g/mol, XLogP of 43.07, 43 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propane-2-thione;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;1-[5-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[7-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;1-[8-ethyl-2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 158966791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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