4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline

C15H8BrClFNO — CID 2456945

IUPAC4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline
SMILESFc1cc(Br)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H8BrClFNO/c16-9-1-4-15(12(18)7-9)20-14-5-6-19-13-8-10(17)2-3-11(13)14/h1-8H
InChIKeyUOFZXOJXITZDKS-UHFFFAOYSA-N
MW352.59 g/mol
LogP5.58
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline

4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline (PubChem CID 2456945) has the molecular formula C15H8BrClFNO and a molecular weight of 352.59 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline
PubChem CID2456945
Molecular FormulaC15H8BrClFNO
Molecular Weight352.59 g/mol
Exact Mass350.95
IUPAC Name4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline
SMILESFc1cc(Br)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H8BrClFNO/c16-9-1-4-15(12(18)7-9)20-14-5-6-19-13-8-10(17)2-3-11(13)14/h1-8H
InChIKeyUOFZXOJXITZDKS-UHFFFAOYSA-N
XLogP5.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline (CID 2456945) is 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline is Fc1cc(Br)ccc1Oc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline?
The InChIKey is UOFZXOJXITZDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFNO/c16-9-1-4-15(12(18)7-9)20-14-5-6-19-13-8-10(17)2-3-11(13)14/h1-8H.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline?
4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline has a molecular weight of 352.59 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-7-chloroquinoline is sourced from PubChem (CID 2456945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).