5,7-dichloro-4-(4-fluorophenoxy)quinoline

C15H8Cl2FNO — CID 3391107

IUPAC5,7-dichloro-4-(4-fluorophenoxy)quinoline
SMILESFc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
InChIKeyWRPIRSINYZBGPK-UHFFFAOYSA-N
MW308.14 g/mol
LogP5.47
Rot. Bonds2

About 5,7-dichloro-4-(4-fluorophenoxy)quinoline

5,7-dichloro-4-(4-fluorophenoxy)quinoline (PubChem CID 3391107) has the molecular formula C15H8Cl2FNO and a molecular weight of 308.14 g/mol. Its IUPAC name is 5,7-dichloro-4-(4-fluorophenoxy)quinoline.

Molecular Properties

Compound Name5,7-dichloro-4-(4-fluorophenoxy)quinoline
PubChem CID3391107
Molecular FormulaC15H8Cl2FNO
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name5,7-dichloro-4-(4-fluorophenoxy)quinoline
SMILESFc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
InChIInChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
InChIKeyWRPIRSINYZBGPK-UHFFFAOYSA-N
XLogP5.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.14
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-(4-fluorophenoxy)quinoline?
The IUPAC name of 5,7-dichloro-4-(4-fluorophenoxy)quinoline (CID 3391107) is 5,7-dichloro-4-(4-fluorophenoxy)quinoline.
What is the SMILES notation for 5,7-dichloro-4-(4-fluorophenoxy)quinoline?
The canonical SMILES for 5,7-dichloro-4-(4-fluorophenoxy)quinoline is Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1.
What is the InChIKey of 5,7-dichloro-4-(4-fluorophenoxy)quinoline?
The InChIKey is WRPIRSINYZBGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H.
What are the key properties of 5,7-dichloro-4-(4-fluorophenoxy)quinoline?
5,7-dichloro-4-(4-fluorophenoxy)quinoline has a molecular weight of 308.14 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-(4-fluorophenoxy)quinoline is sourced from PubChem (CID 3391107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).