5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline

C20H14FN3O — CID 77084424

IUPAC5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
SMILESCOc1ccccc1-c1ccc(-c2ccc(F)c3cccnc23)nn1
InChIInChI=1S/C20H14FN3O/c1-25-19-7-3-2-5-14(19)17-10-11-18(24-23-17)15-8-9-16(21)13-6-4-12-22-20(13)15/h2-12H,1H3
InChIKeyCBGLWUHATTZUOF-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.51
Rot. Bonds3

About 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline

5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline (PubChem CID 77084424) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline.

Molecular Properties

Compound Name5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
PubChem CID77084424
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
SMILESCOc1ccccc1-c1ccc(-c2ccc(F)c3cccnc23)nn1
InChIInChI=1S/C20H14FN3O/c1-25-19-7-3-2-5-14(19)17-10-11-18(24-23-17)15-8-9-16(21)13-6-4-12-22-20(13)15/h2-12H,1H3
InChIKeyCBGLWUHATTZUOF-UHFFFAOYSA-N
XLogP4.51
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
CID 162637941
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308
8-chloro-5-fluoroquinoline
CID 53435993
[6-(2-methoxyphenyl)pyridazin-3-yl]hydrazine
CID 23422537
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 141182116
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
8-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-5-fluoroquinoline
CID 74249674
2-(5-fluoroquinolin-8-yl)-N,N-dimethylpyrimidin-4-amine
CID 74239897
3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
CID 77093795
2-(5-fluoroquinolin-8-yl)oxyacetonitrile
CID 71319995
3-fluoro-2-[1-(2-methoxyphenyl)triazol-4-yl]pyridine
CID 166328992

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline?
The IUPAC name of 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline (CID 77084424) is 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline.
What is the SMILES notation for 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline?
The canonical SMILES for 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline is COc1ccccc1-c1ccc(-c2ccc(F)c3cccnc23)nn1.
What is the InChIKey of 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline?
The InChIKey is CBGLWUHATTZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c1-25-19-7-3-2-5-14(19)17-10-11-18(24-23-17)15-8-9-16(21)13-6-4-12-22-20(13)15/h2-12H,1H3.
What are the key properties of 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline?
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline has a molecular weight of 331.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline is sourced from PubChem (CID 77084424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).