methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate

C17H15N3O3 — CID 19700821

IUPACmethyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate
SMILESCCn1nc(-c2cccc(C(=O)OC)c2)c2ncccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-3-20-16(21)13-8-5-9-18-15(13)14(19-20)11-6-4-7-12(10-11)17(22)23-2/h4-10H,3H2,1-2H3
InChIKeyYUVWWVMMQVKUMW-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.27
Rot. Bonds3

About methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate

methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate (PubChem CID 19700821) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate
PubChem CID19700821
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate
SMILESCCn1nc(-c2cccc(C(=O)OC)c2)c2ncccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-3-20-16(21)13-8-5-9-18-15(13)14(19-20)11-6-4-7-12(10-11)17(22)23-2/h4-10H,3H2,1-2H3
InChIKeyYUVWWVMMQVKUMW-UHFFFAOYSA-N
XLogP2.27
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate?
The IUPAC name of methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate (CID 19700821) is methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate.
What is the SMILES notation for methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate?
The canonical SMILES for methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate is CCn1nc(-c2cccc(C(=O)OC)c2)c2ncccc2c1=O.
What is the InChIKey of methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate?
The InChIKey is YUVWWVMMQVKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-3-20-16(21)13-8-5-9-18-15(13)14(19-20)11-6-4-7-12(10-11)17(22)23-2/h4-10H,3H2,1-2H3.
What are the key properties of methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate?
methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate has a molecular weight of 309.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate is sourced from PubChem (CID 19700821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).