1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline

C76H54BrN13O7 — CID 159893069

IUPAC1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
SMILESBrc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C26H20N2O3.C25H16BrN5O2.C25H18N6O2/c1-17-6-8-18(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;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;1-16-6-8-17(9-7-16)27-25-30-26-15-31(25)18-10-11-19-20(14-18)29-24(22-5-3-13-33-22)23(28-19)21-4-2-12-32-21/h2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-15H,1H3,(H,27,30)
InChIKeyNUZSEEAKVJEUTK-UHFFFAOYSA-N
MW1341.26 g/mol
LogP17.68
Rot. Bonds16

About 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline

1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline (PubChem CID 159893069) has the molecular formula C76H54BrN13O7 and a molecular weight of 1341.26 g/mol. Its IUPAC name is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline.

Molecular Properties

Compound Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
PubChem CID159893069
Molecular FormulaC76H54BrN13O7
Molecular Weight1341.26 g/mol
Exact Mass1339.35
IUPAC Name1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
SMILESBrc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C26H20N2O3.C25H16BrN5O2.C25H18N6O2/c1-17-6-8-18(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;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;1-16-6-8-17(9-7-16)27-25-30-26-15-31(25)18-10-11-19-20(14-18)29-24(22-5-3-13-33-22)23(28-19)21-4-2-12-32-21/h2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-15H,1H3,(H,27,30)
InChIKeyNUZSEEAKVJEUTK-UHFFFAOYSA-N
XLogP17.68
TPSA246.70 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.26
LogP ≤ 517.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine
CID 57345055
4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-bromophenyl)-1,2,4-triazol-3-amine
CID 67892094
4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 89879564
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;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline;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 159213564
2,3-bis(furan-2-yl)-6-[(4-methylphenyl)sulfonylmethyl]quinoxaline;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
CID 159216979
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 159258082
tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 160727366
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(2-bromophenyl)propan-2-one;1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(3-methylphenyl)propan-2-one;tetrakis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 161774876
6-[[4-(4-Bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
CID 158966793

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The IUPAC name of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline (CID 159893069) is 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline.
What is the SMILES notation for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The canonical SMILES for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline is Brc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(Nc2nncn2-c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.
What is the InChIKey of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The InChIKey is NUZSEEAKVJEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3.C25H16BrN5O2.C25H18N6O2/c1-17-6-8-18(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;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;1-16-6-8-17(9-7-16)27-25-30-26-15-31(25)18-10-11-19-20(14-18)29-24(22-5-3-13-33-22)23(28-19)21-4-2-12-32-21/h2-13,16H,14-15H2,1H3;1-13,15H,14H2;2-15H,1H3,(H,27,30).
What are the key properties of 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline has a molecular weight of 1341.26 g/mol, XLogP of 17.68, 16 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one;4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-N-(4-methylphenyl)-1,2,4-triazol-3-amine;6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline is sourced from PubChem (CID 159893069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).