2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

C25H20Cl2N2O3 — CID 18369406

IUPAC2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20Cl2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3
InChIKeyDOQFSKJPZOAIBK-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.95
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one

2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (PubChem CID 18369406) has the molecular formula C25H20Cl2N2O3 and a molecular weight of 467.35 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
PubChem CID18369406
Molecular FormulaC25H20Cl2N2O3
Molecular Weight467.35 g/mol
Exact Mass466.09
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H20Cl2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3
InChIKeyDOQFSKJPZOAIBK-UHFFFAOYSA-N
XLogP5.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051072
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9846993
2-[(4-Chlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369317
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369344
2-[(3,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369356
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-[(2,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369449
1-[3-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 4298702
2-(2-chloro-6-fluorobenzyl)-6-(4-methoxyphenyl)pyridazin-3(2H)-one
CID 4051075
3-(4-chlorophenyl)-5-(4-methoxyphenyl)-1-propionyl-4,5-dihydro-1H-pyrazole
CID 4115381
1-[3-(4-Chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 12692720

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one (CID 18369406) is 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is DOQFSKJPZOAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3/c1-31-19-8-4-17(5-9-19)21-14-24(30)29(15-16-3-12-22(26)23(27)13-16)28-25(21)18-6-10-20(32-2)11-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one?
2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 467.35 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 18369406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).