4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine

C15H11BrFN3 — CID 69182917

IUPAC4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1c(F)cccc1Br
InChIInChI=1S/C15H11BrFN3/c16-10-5-3-6-11(17)15(10)20-14-9-4-1-2-7-13(9)19-8-12(14)18/h1-8H,18H2,(H,19,20)
InChIKeyXZKCHAFWJLACAK-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.46
Rot. Bonds2

About 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine

4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine (PubChem CID 69182917) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine
PubChem CID69182917
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1Nc1c(F)cccc1Br
InChIInChI=1S/C15H11BrFN3/c16-10-5-3-6-11(17)15(10)20-14-9-4-1-2-7-13(9)19-8-12(14)18/h1-8H,18H2,(H,19,20)
InChIKeyXZKCHAFWJLACAK-UHFFFAOYSA-N
XLogP4.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine (CID 69182917) is 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1Nc1c(F)cccc1Br.
What is the InChIKey of 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine?
The InChIKey is XZKCHAFWJLACAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-10-5-3-6-11(17)15(10)20-14-9-4-1-2-7-13(9)19-8-12(14)18/h1-8H,18H2,(H,19,20).
What are the key properties of 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine?
4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine has a molecular weight of 332.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-fluorophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 69182917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).