5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline

C15H8Cl2FNO — CID 162640741

IUPAC5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline
SMILES[2H]c1c([2H])c(Oc2ccnc3cc(Cl)cc(Cl)c23)c([2H])c([2H])c1F
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/i1D,2D,3D,4D
InChIKeyWRPIRSINYZBGPK-RHQRLBAQSA-N
MW312.16 g/mol
LogP5.47
Rot. Bonds2

About 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline

5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline (PubChem CID 162640741) has the molecular formula C15H8Cl2FNO and a molecular weight of 312.16 g/mol. Its IUPAC name is 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline.

Molecular Properties

Compound Name5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline
PubChem CID162640741
Molecular FormulaC15H8Cl2FNO
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline
SMILES[2H]c1c([2H])c(Oc2ccnc3cc(Cl)cc(Cl)c23)c([2H])c([2H])c1F
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/i1D,2D,3D,4D
InChIKeyWRPIRSINYZBGPK-RHQRLBAQSA-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 ≤ 500312.16
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-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline?
The IUPAC name of 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline (CID 162640741) is 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline.
What is the SMILES notation for 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline?
The canonical SMILES for 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline is [2H]c1c([2H])c(Oc2ccnc3cc(Cl)cc(Cl)c23)c([2H])c([2H])c1F.
What is the InChIKey of 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline?
The InChIKey is WRPIRSINYZBGPK-RHQRLBAQSA-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/i1D,2D,3D,4D.
What are the key properties of 5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline?
5,7-dichloro-4-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline has a molecular weight of 312.16 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-(2,3,5,6-tetradeuterio-4-fluorophenoxy)quinoline is sourced from PubChem (CID 162640741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).