[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

C20H18N2O5 — CID 18076859

IUPAC[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)Cc1ccc(OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C20H18N2O5/c1-26-19(24)13-14-7-9-16(10-8-14)27-20(25)17-11-12-18(23)22(21-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyJADGDCUJICMEJO-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.49
Rot. Bonds5

About [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate

[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (PubChem CID 18076859) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.

Molecular Properties

Compound Name[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
PubChem CID18076859
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
SMILESCOC(=O)Cc1ccc(OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C20H18N2O5/c1-26-19(24)13-14-7-9-16(10-8-14)27-20(25)17-11-12-18(23)22(21-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyJADGDCUJICMEJO-UHFFFAOYSA-N
XLogP2.49
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-propoxyphenyl) 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7747669
[2-oxo-2-(4-phenoxyanilino)ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 5176925
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
N-[1-(4-ethylphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112762239
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18201945
(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18140189
pyridin-2-ylmethyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 9465512
[4-(methoxycarbonylamino)phenyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 75404080
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7284096

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The IUPAC name of [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate (CID 18076859) is [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate.
What is the SMILES notation for [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The canonical SMILES for [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is COC(=O)Cc1ccc(OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
The InChIKey is JADGDCUJICMEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-19(24)13-14-7-9-16(10-8-14)27-20(25)17-11-12-18(23)22(21-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate?
[4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-2-oxoethyl)phenyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate is sourced from PubChem (CID 18076859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).