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

C15H11BrFN3 — CID 43621253

IUPAC6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccccc1F
InChIInChI=1S/C15H11BrFN3/c16-9-5-6-13-10(7-9)15(12(18)8-19-13)20-14-4-2-1-3-11(14)17/h1-8H,18H2,(H,19,20)
InChIKeyCAVJPYBVHUTBOE-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.46
Rot. Bonds2

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

6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine (PubChem CID 43621253) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine
PubChem CID43621253
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine
SMILESNc1cnc2ccc(Br)cc2c1Nc1ccccc1F
InChIInChI=1S/C15H11BrFN3/c16-9-5-6-13-10(7-9)15(12(18)8-19-13)20-14-4-2-1-3-11(14)17/h1-8H,18H2,(H,19,20)
InChIKeyCAVJPYBVHUTBOE-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 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine (CID 43621253) is 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine is Nc1cnc2ccc(Br)cc2c1Nc1ccccc1F.
What is the InChIKey of 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine?
The InChIKey is CAVJPYBVHUTBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-9-5-6-13-10(7-9)15(12(18)8-19-13)20-14-4-2-1-3-11(14)17/h1-8H,18H2,(H,19,20).
What are the key properties of 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine?
6-bromo-4-N-(2-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 6-bromo-4-N-(2-fluorophenyl)quinoline-3,4-diamine is sourced from PubChem (CID 43621253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).