N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine

C14H8BrFN6 — CID 5307505

IUPACN-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESFc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C14H8BrFN6/c15-8-5-6-10(9(16)7-8)17-13-14-19-20-21-22(14)12-4-2-1-3-11(12)18-13/h1-7H,(H,17,18)
InChIKeyRFCWVCKLZXYUIW-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.32
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine

N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 5307505) has the molecular formula C14H8BrFN6 and a molecular weight of 359.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID5307505
Molecular FormulaC14H8BrFN6
Molecular Weight359.16 g/mol
Exact Mass358.00
IUPAC NameN-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine
SMILESFc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12
InChIInChI=1S/C14H8BrFN6/c15-8-5-6-10(9(16)7-8)17-13-14-19-20-21-22(14)12-4-2-1-3-11(12)18-13/h1-7H,(H,17,18)
InChIKeyRFCWVCKLZXYUIW-UHFFFAOYSA-N
XLogP3.32
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine (CID 5307505) is N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine is Fc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is RFCWVCKLZXYUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN6/c15-8-5-6-10(9(16)7-8)17-13-14-19-20-21-22(14)12-4-2-1-3-11(12)18-13/h1-7H,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine?
N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 359.16 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 5307505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).