5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one

C26H23ClN2O4 — CID 50904471

IUPAC5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)c(-c3ccc(OC)cc3)nn(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C26H23ClN2O4/c1-17-6-4-5-7-19(17)16-29-26(30)25(33-22-14-12-21(32-3)13-15-22)23(27)24(28-29)18-8-10-20(31-2)11-9-18/h4-15H,16H2,1-3H3
InChIKeyJKEOJHINANHUBN-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.73
Rot. Bonds7

About 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one

5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one (PubChem CID 50904471) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
PubChem CID50904471
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Name5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)c(-c3ccc(OC)cc3)nn(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C26H23ClN2O4/c1-17-6-4-5-7-19(17)16-29-26(30)25(33-22-14-12-21(32-3)13-15-22)23(27)24(28-29)18-8-10-20(31-2)11-9-18/h4-15H,16H2,1-3H3
InChIKeyJKEOJHINANHUBN-UHFFFAOYSA-N
XLogP5.73
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-[(2,5-dimethylphenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586275
ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 68812088
5-(4-methoxyphenoxy)-1-(naphthalen-1-ylmethyl)-6-oxopyridazine-4-carbaldehyde
CID 53234179
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
[5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943636
8-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methyl-2-[(2-methylphenyl)methyl]phthalazin-1-one
CID 11994376
5-(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 992638
5-(4-methoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carbonitrile
CID 82204053
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15988695
6-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 46291345
5-chloro-2-[(2,6-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)pyridazin-3-one
CID 50904431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one (CID 50904471) is 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one is COc1ccc(Oc2c(Cl)c(-c3ccc(OC)cc3)nn(Cc3ccccc3C)c2=O)cc1.
What is the InChIKey of 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one?
The InChIKey is JKEOJHINANHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c1-17-6-4-5-7-19(17)16-29-26(30)25(33-22-14-12-21(32-3)13-15-22)23(27)24(28-29)18-8-10-20(31-2)11-9-18/h4-15H,16H2,1-3H3.
What are the key properties of 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one?
5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one has a molecular weight of 462.93 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 50904471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).