methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate

C15H16N2O4 — CID 15453538

IUPACmethyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
SMILESCCn1nc(-c2ccc(OC)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H16N2O4/c1-4-17-14(18)12(15(19)21-3)9-13(16-17)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeySEAISNCQTFNKSK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate

methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate (PubChem CID 15453538) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
PubChem CID15453538
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
SMILESCCn1nc(-c2ccc(OC)cc2)cc(C(=O)OC)c1=O
InChIInChI=1S/C15H16N2O4/c1-4-17-14(18)12(15(19)21-3)9-13(16-17)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3
InChIKeySEAISNCQTFNKSK-UHFFFAOYSA-N
XLogP1.73
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452196
ethyl 2-ethenyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 22452257
methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate (CID 15453538) is methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate is CCn1nc(-c2ccc(OC)cc2)cc(C(=O)OC)c1=O.
What is the InChIKey of methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
The InChIKey is SEAISNCQTFNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-17-14(18)12(15(19)21-3)9-13(16-17)10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate?
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 15453538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).