7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline

C19H11ClFN3O — CID 10473175

IUPAC7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline
SMILESFc1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)cc1Cl
InChIInChI=1S/C19H11ClFN3O/c20-15-8-13(4-6-16(15)21)18-10-19(24-11-23-18)25-14-5-3-12-2-1-7-22-17(12)9-14/h1-11H
InChIKeyQSKJKQOPOKMWSH-UHFFFAOYSA-N
MW351.77 g/mol
LogP5.28
Rot. Bonds3

About 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline

7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline (PubChem CID 10473175) has the molecular formula C19H11ClFN3O and a molecular weight of 351.77 g/mol. Its IUPAC name is 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline
PubChem CID10473175
Molecular FormulaC19H11ClFN3O
Molecular Weight351.77 g/mol
Exact Mass351.06
IUPAC Name7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline
SMILESFc1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)cc1Cl
InChIInChI=1S/C19H11ClFN3O/c20-15-8-13(4-6-16(15)21)18-10-19(24-11-23-18)25-14-5-3-12-2-1-7-22-17(12)9-14/h1-11H
InChIKeyQSKJKQOPOKMWSH-UHFFFAOYSA-N
XLogP5.28
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.77
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline (CID 10473175) is 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline is Fc1ccc(-c2cc(Oc3ccc4cccnc4c3)ncn2)cc1Cl.
What is the InChIKey of 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline?
The InChIKey is QSKJKQOPOKMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O/c20-15-8-13(4-6-16(15)21)18-10-19(24-11-23-18)25-14-5-3-12-2-1-7-22-17(12)9-14/h1-11H.
What are the key properties of 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline?
7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline has a molecular weight of 351.77 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3-chloro-4-fluorophenyl)pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 10473175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).