(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

C22H20N2O5 — CID 33125580

IUPAC(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C22H20N2O5/c1-14-11-19(26)21(23-24(14)18-7-5-4-6-8-18)22(27)29-13-17-12-16(15(2)25)9-10-20(17)28-3/h4-12H,13H2,1-3H3
InChIKeyPVSTZMODWCUNEQ-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.11
Rot. Bonds6

About (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate

(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (PubChem CID 33125580) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
PubChem CID33125580
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C22H20N2O5/c1-14-11-19(26)21(23-24(14)18-7-5-4-6-8-18)22(27)29-13-17-12-16(15(2)25)9-10-20(17)28-3/h4-12H,13H2,1-3H3
InChIKeyPVSTZMODWCUNEQ-UHFFFAOYSA-N
XLogP3.11
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-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

(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33096882
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33124842
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 55425603
(3-methyl-1,2-oxazol-5-yl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 40766867
(5-acetyl-2-methoxyphenyl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270576
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(2-anilino-2-oxoethyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33124998
(5-acetyl-2-methoxyphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 2535559
(5-acetyl-2-methoxyphenyl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
CID 4544484

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate (CID 33125580) is (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
The InChIKey is PVSTZMODWCUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-14-11-19(26)21(23-24(14)18-7-5-4-6-8-18)22(27)29-13-17-12-16(15(2)25)9-10-20(17)28-3/h4-12H,13H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate is sourced from PubChem (CID 33125580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).