6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane

C22H19F2N3O — CID 143480962

IUPAC6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
SMILESCC.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2ncccc2c1
InChIInChI=1S/C20H13F2N3O.C2H6/c21-16-9-15(10-17(22)11-16)19-5-6-20(26)25(24-19)12-13-3-4-18-14(8-13)2-1-7-23-18;1-2/h1-11H,12H2;1-2H3
InChIKeyPPENJMAGRCUMFS-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.81
Rot. Bonds3

About 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane

6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane (PubChem CID 143480962) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
PubChem CID143480962
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
SMILESCC.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2ncccc2c1
InChIInChI=1S/C20H13F2N3O.C2H6/c21-16-9-15(10-17(22)11-16)19-5-6-20(26)25(24-19)12-13-3-4-18-14(8-13)2-1-7-23-18;1-2/h1-11H,12H2;1-2H3
InChIKeyPPENJMAGRCUMFS-UHFFFAOYSA-N
XLogP4.81
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 143480942
6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 166219828
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one
CID 59849705
[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]azanium
CID 59484841
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-(2-morpholin-4-ylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 175518278
6-(3,5-difluorophenyl)-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyridazin-3-one
CID 59534559
6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
CID 141268505
6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane?
The IUPAC name of 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane (CID 143480962) is 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane is CC.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1ccc2ncccc2c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane?
The InChIKey is PPENJMAGRCUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O.C2H6/c21-16-9-15(10-17(22)11-16)19-5-6-20(26)25(24-19)12-13-3-4-18-14(8-13)2-1-7-23-18;1-2/h1-11H,12H2;1-2H3.
What are the key properties of 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane?
6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane has a molecular weight of 379.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane is sourced from PubChem (CID 143480962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).