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

C15H10BrFN2O — CID 43621415

IUPAC6-bromo-4-(3-fluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1cccc(F)c1
InChIInChI=1S/C15H10BrFN2O/c16-9-4-5-14-12(6-9)15(13(18)8-19-14)20-11-3-1-2-10(17)7-11/h1-8H,18H2
InChIKeyMGKANFAMRGHZOR-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

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

6-bromo-4-(3-fluorophenoxy)quinolin-3-amine (PubChem CID 43621415) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(3-fluorophenoxy)quinolin-3-amine
PubChem CID43621415
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name6-bromo-4-(3-fluorophenoxy)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Oc1cccc(F)c1
InChIInChI=1S/C15H10BrFN2O/c16-9-4-5-14-12(6-9)15(13(18)8-19-14)20-11-3-1-2-10(17)7-11/h1-8H,18H2
InChIKeyMGKANFAMRGHZOR-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine (CID 43621415) is 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine is Nc1cnc2ccc(Br)cc2c1Oc1cccc(F)c1.
What is the InChIKey of 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine?
The InChIKey is MGKANFAMRGHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-9-4-5-14-12(6-9)15(13(18)8-19-14)20-11-3-1-2-10(17)7-11/h1-8H,18H2.
What are the key properties of 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine?
6-bromo-4-(3-fluorophenoxy)quinolin-3-amine has a molecular weight of 333.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-fluorophenoxy)quinolin-3-amine is sourced from PubChem (CID 43621415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).