6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine

C15H11BrFN3 — CID 107596683

IUPAC6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2c(F)cccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11BrFN3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2
InChIKeyXZKBGLVWCYHNLD-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.46
Rot. Bonds2

About 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine

6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine (PubChem CID 107596683) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
PubChem CID107596683
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine
SMILESNc1c(Nc2c(F)cccc2Br)ccc2ncccc12
InChIInChI=1S/C15H11BrFN3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2
InChIKeyXZKBGLVWCYHNLD-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

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2,6-dibromophenyl)quinoline-5,6-diamine
CID 107596522
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
2-N-(2-bromo-6-fluorophenyl)pyridine-2,3-diamine
CID 107596616
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
6-N-ethylquinoline-5,6-diamine
CID 43809532
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
1-N-(2-bromo-6-fluorophenyl)-3-propoxybenzene-1,2-diamine
CID 107596697

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine (CID 107596683) is 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine is Nc1c(Nc2c(F)cccc2Br)ccc2ncccc12.
What is the InChIKey of 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine?
The InChIKey is XZKBGLVWCYHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-10-4-1-5-11(17)15(10)20-13-7-6-12-9(14(13)18)3-2-8-19-12/h1-8,20H,18H2.
What are the key properties of 6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine?
6-N-(2-bromo-6-fluorophenyl)quinoline-5,6-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-N-(2-bromo-6-fluorophenyl)quinoline-5,6-diamine is sourced from PubChem (CID 107596683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).