5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine

C12H9BrN4 — CID 59164147

IUPAC5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
SMILESBrc1c(Nc2ccc[nH]2)ccc2nccnc12
InChIInChI=1S/C12H9BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h1-7,15,17H
InChIKeyQKXPFIQNVRMKGL-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.46
Rot. Bonds2

About 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine

5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine (PubChem CID 59164147) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine.

Molecular Properties

Compound Name5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
PubChem CID59164147
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
SMILESBrc1c(Nc2ccc[nH]2)ccc2nccnc12
InChIInChI=1S/C12H9BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h1-7,15,17H
InChIKeyQKXPFIQNVRMKGL-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine?
The IUPAC name of 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine (CID 59164147) is 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine.
What is the SMILES notation for 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine?
The canonical SMILES for 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine is Brc1c(Nc2ccc[nH]2)ccc2nccnc12.
What is the InChIKey of 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine?
The InChIKey is QKXPFIQNVRMKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-8(17-10-2-1-5-15-10)3-4-9-12(11)16-7-6-14-9/h1-7,15,17H.
What are the key properties of 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine?
5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine has a molecular weight of 289.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine is sourced from PubChem (CID 59164147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).