N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine

C24H15BrN6O2 — CID 57345055

IUPACN-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine
SMILESBrc1ccc(-n2cnnc2Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C24H15BrN6O2/c25-15-5-8-17(9-6-15)31-14-26-30-24(31)27-16-7-10-18-19(13-16)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30)
InChIKeyKHPLQNZJSAIGHV-UHFFFAOYSA-N
MW499.33 g/mol
LogP6.24
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine

N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine (PubChem CID 57345055) has the molecular formula C24H15BrN6O2 and a molecular weight of 499.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine
PubChem CID57345055
Molecular FormulaC24H15BrN6O2
Molecular Weight499.33 g/mol
Exact Mass498.04
IUPAC NameN-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine
SMILESBrc1ccc(-n2cnnc2Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1
InChIInChI=1S/C24H15BrN6O2/c25-15-5-8-17(9-6-15)31-14-26-30-24(31)27-16-7-10-18-19(13-16)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30)
InChIKeyKHPLQNZJSAIGHV-UHFFFAOYSA-N
XLogP6.24
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.33
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine?
The IUPAC name of N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine (CID 57345055) is N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine?
The canonical SMILES for N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine is Brc1ccc(-n2cnnc2Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine?
The InChIKey is KHPLQNZJSAIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN6O2/c25-15-5-8-17(9-6-15)31-14-26-30-24(31)27-16-7-10-18-19(13-16)29-23(21-4-2-12-33-21)22(28-18)20-3-1-11-32-20/h1-14H,(H,27,30).
What are the key properties of N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine?
N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine has a molecular weight of 499.33 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]-2,3-bis(furan-2-yl)quinoxalin-6-amine is sourced from PubChem (CID 57345055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).