ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate

C23H22N2O4 — CID 22452273

IUPACethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)nn(C/C=C/c2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-3-29-23(27)20-16-21(18-11-13-19(28-2)14-12-18)24-25(22(20)26)15-7-10-17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3/b10-7+
InChIKeyOTJLBGYUYFEJAH-JXMROGBWSA-N
MW390.44 g/mol
LogP3.81
Rot. Bonds7

About ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate

ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate (PubChem CID 22452273) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
PubChem CID22452273
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)nn(C/C=C/c2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-3-29-23(27)20-16-21(18-11-13-19(28-2)14-12-18)24-25(22(20)26)15-7-10-17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3/b10-7+
InChIKeyOTJLBGYUYFEJAH-JXMROGBWSA-N
XLogP3.81
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate with MolForge

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Related Compounds

2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452186
ethyl 2-ethenyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 22452257
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448
6-(3-chloro-4-fluorophenyl)-3-oxo-2-(3-phenylprop-2-enyl)pyridazine-4-carboxamide
CID 54553649
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4023539
4-(4-methoxyphenyl)-2-[3-(4-methylphenyl)prop-2-enyl]pyridazin-3-one
CID 68849569
ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 10970105
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
ethyl 2-(2-amino-2-oxoethyl)-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carboxylate
CID 100785607
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2346899

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate (CID 22452273) is ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)nn(C/C=C/c2ccccc2)c1=O.
What is the InChIKey of ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate?
The InChIKey is OTJLBGYUYFEJAH-JXMROGBWSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-3-29-23(27)20-16-21(18-11-13-19(28-2)14-12-18)24-25(22(20)26)15-7-10-17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3/b10-7+.
What are the key properties of ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate?
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate is sourced from PubChem (CID 22452273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).