6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

C21H16FN3O — CID 143480942

IUPAC6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESCc1cc(F)cc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C21H16FN3O/c1-14-9-17(12-18(22)10-14)20-6-7-21(26)25(24-20)13-15-4-5-19-16(11-15)3-2-8-23-19/h2-12H,13H2,1H3
InChIKeyHSKCAYVSGBWLGU-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.95
Rot. Bonds3

About 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one

6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (PubChem CID 143480942) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
PubChem CID143480942
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
SMILESCc1cc(F)cc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C21H16FN3O/c1-14-9-17(12-18(22)10-14)20-6-7-21(26)25(24-20)13-15-4-5-19-16(11-15)3-2-8-23-19/h2-12H,13H2,1H3
InChIKeyHSKCAYVSGBWLGU-UHFFFAOYSA-N
XLogP3.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
CID 143480962
6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 166219828
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951
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
[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]azanium
CID 59484841
6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
ethyl 2-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxylate
CID 25173290
6-(3,5-difluorophenyl)-2-[[3-(1H-pyrrol-2-yl)phenyl]methyl]pyridazin-3-one
CID 141268505
[3-[[3-(3-fluoro-5-methylphenyl)-6-oxopyridazin-1-yl]methyl]phenyl] N-[3-(dimethylamino)propyl]carbamate
CID 143480984

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one (CID 143480942) is 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is Cc1cc(F)cc(-c2ccc(=O)n(Cc3ccc4ncccc4c3)n2)c1.
What is the InChIKey of 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
The InChIKey is HSKCAYVSGBWLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-14-9-17(12-18(22)10-14)20-6-7-21(26)25(24-20)13-15-4-5-19-16(11-15)3-2-8-23-19/h2-12H,13H2,1H3.
What are the key properties of 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one?
6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one has a molecular weight of 345.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 143480942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).