6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

C17H14N2O4 — CID 6500968

IUPAC6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(C(=O)Cn2nc(-c3ccco3)ccc2=O)c1
InChIInChI=1S/C17H14N2O4/c1-22-13-5-2-4-12(10-13)15(20)11-19-17(21)8-7-14(18-19)16-6-3-9-23-16/h2-10H,11H2,1H3
InChIKeyJZAVVTWFEGUMBD-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.39
Rot. Bonds5

About 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one

6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 6500968) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID6500968
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1cccc(C(=O)Cn2nc(-c3ccco3)ccc2=O)c1
InChIInChI=1S/C17H14N2O4/c1-22-13-5-2-4-12(10-13)15(20)11-19-17(21)8-7-14(18-19)16-6-3-9-23-16/h2-10H,11H2,1H3
InChIKeyJZAVVTWFEGUMBD-UHFFFAOYSA-N
XLogP2.39
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-yl-[3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2963372
5-(4-methoxyphenyl)-3-(5-methyl-2-furyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2960511
1-{4-(furan-2-yl)-3-[(3-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 3319593
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
CID 3831781
1-(5-(furan-2-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2951698
1-(3-Furan-2-yl-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-ethanone
CID 3504925
N-[1-Furan-2-yl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-2-phenyl-acetamide
CID 6392314
N-(2-furylmethyl)-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 12005279
1-{4-(furan-2-yl)-3-[(4-methoxyphenyl)carbonyl]-4,5-dihydro-1H-pyrazol-1-yl}ethanone
CID 5001642
N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 6368130
1-[3-(4-Methoxyphenyl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 2885313
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3244374

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one (CID 6500968) is 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is COc1cccc(C(=O)Cn2nc(-c3ccco3)ccc2=O)c1.
What is the InChIKey of 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is JZAVVTWFEGUMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-13-5-2-4-12(10-13)15(20)11-19-17(21)8-7-14(18-19)16-6-3-9-23-16/h2-10H,11H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one?
6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 310.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 6500968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).