8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine

C15H11BrFN3 — CID 43450170

IUPAC8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(Br)cc2F)c2ncccc12
InChIInChI=1S/C15H11BrFN3/c16-9-3-5-13(11(17)8-9)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2
InChIKeyPGJITACATYNCBH-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.46
Rot. Bonds2

About 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine

8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine (PubChem CID 43450170) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
PubChem CID43450170
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2ccc(Br)cc2F)c2ncccc12
InChIInChI=1S/C15H11BrFN3/c16-9-3-5-13(11(17)8-9)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2
InChIKeyPGJITACATYNCBH-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

8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
5-N-(4-bromo-2-fluorophenyl)isoquinoline-5,8-diamine
CID 43448758
2-[(8-aminoquinolin-5-yl)amino]-5-bromobenzonitrile
CID 82692584
8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163885
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine (CID 43450170) is 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2ccc(Br)cc2F)c2ncccc12.
What is the InChIKey of 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine?
The InChIKey is PGJITACATYNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-9-3-5-13(11(17)8-9)20-14-6-4-12(18)10-2-1-7-19-15(10)14/h1-8,20H,18H2.
What are the key properties of 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine?
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-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 8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).