6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine

C15H9BrF2N2O — CID 43621391

IUPAC6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1F
InChIInChI=1S/C15H9BrF2N2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(17)6-11(14)18/h1-7H,19H2
InChIKeyMUELRGVBNAOBLD-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.65
Rot. Bonds2

About 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine

6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine (PubChem CID 43621391) has the molecular formula C15H9BrF2N2O and a molecular weight of 351.15 g/mol. Its IUPAC name is 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine
PubChem CID43621391
Molecular FormulaC15H9BrF2N2O
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1F
InChIInChI=1S/C15H9BrF2N2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(17)6-11(14)18/h1-7H,19H2
InChIKeyMUELRGVBNAOBLD-UHFFFAOYSA-N
XLogP4.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine (CID 43621391) is 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine is Nc1cnc2ccc(Br)cc2c1Oc1ccc(F)cc1F.
What is the InChIKey of 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine?
The InChIKey is MUELRGVBNAOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O/c16-8-1-3-13-10(5-8)15(12(19)7-20-13)21-14-4-2-9(17)6-11(14)18/h1-7H,19H2.
What are the key properties of 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine?
6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine has a molecular weight of 351.15 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2,4-difluorophenoxy)quinolin-3-amine is sourced from PubChem (CID 43621391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).