3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline

C14H9ClFN3O — CID 171089933

IUPAC3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline
SMILESFc1ccc2ncc(COc3cnnc(Cl)c3)cc2c1
InChIInChI=1S/C14H9ClFN3O/c15-14-5-12(7-18-19-14)20-8-9-3-10-4-11(16)1-2-13(10)17-6-9/h1-7H,8H2
InChIKeyZMSSIQRLJZYEBG-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.40
Rot. Bonds3

About 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline

3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline (PubChem CID 171089933) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline.

Molecular Properties

Compound Name3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline
PubChem CID171089933
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline
SMILESFc1ccc2ncc(COc3cnnc(Cl)c3)cc2c1
InChIInChI=1S/C14H9ClFN3O/c15-14-5-12(7-18-19-14)20-8-9-3-10-4-11(16)1-2-13(10)17-6-9/h1-7H,8H2
InChIKeyZMSSIQRLJZYEBG-UHFFFAOYSA-N
XLogP3.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline?
The IUPAC name of 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline (CID 171089933) is 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline.
What is the SMILES notation for 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline?
The canonical SMILES for 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline is Fc1ccc2ncc(COc3cnnc(Cl)c3)cc2c1.
What is the InChIKey of 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline?
The InChIKey is ZMSSIQRLJZYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-14-5-12(7-18-19-14)20-8-9-3-10-4-11(16)1-2-13(10)17-6-9/h1-7H,8H2.
What are the key properties of 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline?
3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline has a molecular weight of 289.70 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline is sourced from PubChem (CID 171089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).