6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline

C25H16BrN5O2 — CID 158966793

IUPAC6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
SMILESBrc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C25H16BrN5O2/c26-17-6-8-18(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/h1-13,15H,14H2
InChIKeyPQZRFROMXZFONA-UHFFFAOYSA-N
MW498.34 g/mol
LogP6.08
Rot. Bonds5

About 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline

6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline (PubChem CID 158966793) has the molecular formula C25H16BrN5O2 and a molecular weight of 498.34 g/mol. Its IUPAC name is 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline.

Molecular Properties

Compound Name6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
PubChem CID158966793
Molecular FormulaC25H16BrN5O2
Molecular Weight498.34 g/mol
Exact Mass497.05
IUPAC Name6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline
SMILESBrc1ccc(-n2cnnc2Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C25H16BrN5O2/c26-17-6-8-18(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/h1-13,15H,14H2
InChIKeyPQZRFROMXZFONA-UHFFFAOYSA-N
XLogP6.08
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.34
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline with MolForge

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Related Compounds

6-Bromo-2,3-bis(furan-2-yl)-7-pyrimidin-5-ylquinoxaline
CID 145988387
2,3-bis(furan-2-yl)-N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
CID 118463938
Cambridge id 7075929
CID 2301095
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
N-[4-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,2,4-triazol-3-yl]-4-bromocyclohex-2-en-5-yn-1-imine
CID 123312597
1-[2,3-Bis(furan-2-yl)quinoxalin-6-yl]-5-imidazol-1-ylpentan-1-one
CID 158216019
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The IUPAC name of 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline (CID 158966793) is 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline.
What is the SMILES notation for 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The canonical SMILES for 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.
What is the InChIKey of 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
The InChIKey is PQZRFROMXZFONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN5O2/c26-17-6-8-18(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/h1-13,15H,14H2.
What are the key properties of 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline?
6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline has a molecular weight of 498.34 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-bromophenyl)-1,2,4-triazol-3-yl]methyl]-2,3-bis(furan-2-yl)quinoxaline is sourced from PubChem (CID 158966793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).