ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate

C21H19ClN2O5 — CID 68812088

IUPACethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(OC)cc2)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H19ClN2O5/c1-3-29-21(27)17-19(25)18(13-8-10-15(28-2)11-9-13)23-24(20(17)26)12-14-6-4-5-7-16(14)22/h4-11,25H,3,12H2,1-2H3
InChIKeyWZUZYFJRHCMZPT-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.50
Rot. Bonds6

About ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate

ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate (PubChem CID 68812088) has the molecular formula C21H19ClN2O5 and a molecular weight of 414.85 g/mol. Its IUPAC name is ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
PubChem CID68812088
Molecular FormulaC21H19ClN2O5
Molecular Weight414.85 g/mol
Exact Mass414.10
IUPAC Nameethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccc(OC)cc2)nn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H19ClN2O5/c1-3-29-21(27)17-19(25)18(13-8-10-15(28-2)11-9-13)23-24(20(17)26)12-14-6-4-5-7-16(14)22/h4-11,25H,3,12H2,1-2H3
InChIKeyWZUZYFJRHCMZPT-UHFFFAOYSA-N
XLogP3.50
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-chlorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785102
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
ethyl 1-[(2-chlorophenyl)methyl]-4-(4-methoxyphenyl)pyrrole-3-carboxylate
CID 14739378
[2-(4-methoxyphenyl)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 42988978
5-chloro-4-(4-methoxyphenoxy)-6-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 50904471
ethyl 6-(3,5-difluorophenyl)-2-[(3,5-difluorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carboxylate
CID 68811758
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2548210
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 35988139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate (CID 68812088) is ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate is CCOC(=O)c1c(O)c(-c2ccc(OC)cc2)nn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The InChIKey is WZUZYFJRHCMZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5/c1-3-29-21(27)17-19(25)18(13-8-10-15(28-2)11-9-13)23-24(20(17)26)12-14-6-4-5-7-16(14)22/h4-11,25H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate has a molecular weight of 414.85 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 68812088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).