methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate

C19H16N2O4 — CID 140623641

IUPACmethyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-21-17(22)12-15(19(23)24-2)18(20-21)14-10-6-7-11-16(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyJAKXONUEIVHANP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.03
Rot. Bonds4

About methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate

methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate (PubChem CID 140623641) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
PubChem CID140623641
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C19H16N2O4/c1-21-17(22)12-15(19(23)24-2)18(20-21)14-10-6-7-11-16(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyJAKXONUEIVHANP-UHFFFAOYSA-N
XLogP3.03
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623694
N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide
CID 140623627
tert-butyl 4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]piperidine-1-carboxylate
CID 90025783
N,N-diethyl-3-fluoro-5-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623626
5-[4-[cyclopentyl(hydroxy)methyl]phenyl]-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623665
2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623630
N-cyclohexyl-N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623655
dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzoic acid
CID 90017764
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
CID 90025606
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzamide
CID 90017256
methyl 5-amino-2-phenoxybenzoate
CID 23019285

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate?
The IUPAC name of methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate (CID 140623641) is methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate is COC(=O)c1cc(=O)n(C)nc1-c1ccccc1Oc1ccccc1.
What is the InChIKey of methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate?
The InChIKey is JAKXONUEIVHANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-21-17(22)12-15(19(23)24-2)18(20-21)14-10-6-7-11-16(14)25-13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate?
methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate is sourced from PubChem (CID 140623641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).