6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine

C15H9Br2FN2O — CID 43621392

IUPAC6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(18)6-11(14)17/h1-7H,19H2
InChIKeyWWAZWOPJIQTQKP-UHFFFAOYSA-N
MW412.06 g/mol
LogP5.27
Rot. Bonds2

About 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine

6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine (PubChem CID 43621392) has the molecular formula C15H9Br2FN2O and a molecular weight of 412.06 g/mol. Its IUPAC name is 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine
PubChem CID43621392
Molecular FormulaC15H9Br2FN2O
Molecular Weight412.06 g/mol
Exact Mass409.91
IUPAC Name6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(18)6-11(14)17/h1-7H,19H2
InChIKeyWWAZWOPJIQTQKP-UHFFFAOYSA-N
XLogP5.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.06
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine (CID 43621392) is 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine is Nc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1Br.
What is the InChIKey of 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine?
The InChIKey is WWAZWOPJIQTQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(18)6-11(14)17/h1-7H,19H2.
What are the key properties of 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine?
6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine has a molecular weight of 412.06 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-bromo-4-fluorophenoxy)quinolin-3-amine is sourced from PubChem (CID 43621392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).