N-(4-bromophenyl)benzo[g]quinoxalin-3-amine

C18H12BrN3 — CID 70165769

IUPACN-(4-bromophenyl)benzo[g]quinoxalin-3-amine
SMILESBrc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H12BrN3/c19-14-5-7-15(8-6-14)21-18-11-20-16-9-12-3-1-2-4-13(12)10-17(16)22-18/h1-11H,(H,21,22)
InChIKeyIOCKHJGEDWTZAG-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.29
Rot. Bonds2

About N-(4-bromophenyl)benzo[g]quinoxalin-3-amine

N-(4-bromophenyl)benzo[g]quinoxalin-3-amine (PubChem CID 70165769) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(4-bromophenyl)benzo[g]quinoxalin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)benzo[g]quinoxalin-3-amine
PubChem CID70165769
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC NameN-(4-bromophenyl)benzo[g]quinoxalin-3-amine
SMILESBrc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H12BrN3/c19-14-5-7-15(8-6-14)21-18-11-20-16-9-12-3-1-2-4-13(12)10-17(16)22-18/h1-11H,(H,21,22)
InChIKeyIOCKHJGEDWTZAG-UHFFFAOYSA-N
XLogP5.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)benzo[g]quinoxalin-3-amine?
The IUPAC name of N-(4-bromophenyl)benzo[g]quinoxalin-3-amine (CID 70165769) is N-(4-bromophenyl)benzo[g]quinoxalin-3-amine.
What is the SMILES notation for N-(4-bromophenyl)benzo[g]quinoxalin-3-amine?
The canonical SMILES for N-(4-bromophenyl)benzo[g]quinoxalin-3-amine is Brc1ccc(Nc2cnc3cc4ccccc4cc3n2)cc1.
What is the InChIKey of N-(4-bromophenyl)benzo[g]quinoxalin-3-amine?
The InChIKey is IOCKHJGEDWTZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-5-7-15(8-6-14)21-18-11-20-16-9-12-3-1-2-4-13(12)10-17(16)22-18/h1-11H,(H,21,22).
What are the key properties of N-(4-bromophenyl)benzo[g]quinoxalin-3-amine?
N-(4-bromophenyl)benzo[g]quinoxalin-3-amine has a molecular weight of 350.22 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)benzo[g]quinoxalin-3-amine is sourced from PubChem (CID 70165769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).