3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C18H17FN2O3 — CID 154614507

IUPAC3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)CC2)c(OC)c1F
InChIInChI=1S/C18H17FN2O3/c1-23-15-6-4-3-5-11(15)12-7-8-13(18(24-2)17(12)19)14-9-10-16(22)21-20-14/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyPQLTYRAYDIZOER-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.12
Rot. Bonds4

About 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 154614507) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID154614507
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)CC2)c(OC)c1F
InChIInChI=1S/C18H17FN2O3/c1-23-15-6-4-3-5-11(15)12-7-8-13(18(24-2)17(12)19)14-9-10-16(22)21-20-14/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyPQLTYRAYDIZOER-UHFFFAOYSA-N
XLogP3.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 59376546
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
3-[3-fluoro-4-(5-hydroxy-2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473956
2-chloro-N-(2,5-dimethylpyrrol-1-yl)-3-methoxy-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 23128022
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135833413
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
3-(2-fluorophenyl)-1,4-dihydropyrazol-5-one
CID 43831427
3-(3-chloro-2-fluoro-4-methoxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 137377989
3-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrazol-5-one
CID 22353179
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 154614507) is 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is COc1ccccc1-c1ccc(C2=NNC(=O)CC2)c(OC)c1F.
What is the InChIKey of 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PQLTYRAYDIZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-15-6-4-3-5-11(15)12-7-8-13(18(24-2)17(12)19)14-9-10-16(22)21-20-14/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 328.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-2-methoxy-4-(2-methoxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 154614507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).