5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol

C15H8Cl2FNO2 — CID 139595102

IUPAC5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol
SMILESOc1cnc2cc(Cl)cc(Cl)c2c1Oc1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FNO2/c16-8-5-11(17)14-12(6-8)19-7-13(20)15(14)21-10-3-1-9(18)2-4-10/h1-7,20H
InChIKeyGNQKYTVIIUPMTP-UHFFFAOYSA-N
MW324.14 g/mol
LogP5.18
Rot. Bonds2

About 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol

5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol (PubChem CID 139595102) has the molecular formula C15H8Cl2FNO2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol.

Molecular Properties

Compound Name5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol
PubChem CID139595102
Molecular FormulaC15H8Cl2FNO2
Molecular Weight324.14 g/mol
Exact Mass322.99
IUPAC Name5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol
SMILESOc1cnc2cc(Cl)cc(Cl)c2c1Oc1ccc(F)cc1
InChIInChI=1S/C15H8Cl2FNO2/c16-8-5-11(17)14-12(6-8)19-7-13(20)15(14)21-10-3-1-9(18)2-4-10/h1-7,20H
InChIKeyGNQKYTVIIUPMTP-UHFFFAOYSA-N
XLogP5.18
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.14
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol?
The IUPAC name of 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol (CID 139595102) is 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol.
What is the SMILES notation for 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol?
The canonical SMILES for 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol is Oc1cnc2cc(Cl)cc(Cl)c2c1Oc1ccc(F)cc1.
What is the InChIKey of 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol?
The InChIKey is GNQKYTVIIUPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2/c16-8-5-11(17)14-12(6-8)19-7-13(20)15(14)21-10-3-1-9(18)2-4-10/h1-7,20H.
What are the key properties of 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol?
5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol has a molecular weight of 324.14 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-(4-fluorophenoxy)quinolin-3-ol is sourced from PubChem (CID 139595102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).