methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate

C16H13N3O4 — CID 91008803

IUPACmethyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(-c2cccc3cccnc23)c(OC)c1=O
InChIInChI=1S/C16H13N3O4/c1-22-15-12(18-19-13(14(15)20)16(21)23-2)10-7-3-5-9-6-4-8-17-11(9)10/h3-8H,1-2H3,(H,18,20)
InChIKeyQAPODCVKGUVAEM-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.78
Rot. Bonds3

About methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate

methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate (PubChem CID 91008803) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate
PubChem CID91008803
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Namemethyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate
SMILESCOC(=O)c1n[nH]c(-c2cccc3cccnc23)c(OC)c1=O
InChIInChI=1S/C16H13N3O4/c1-22-15-12(18-19-13(14(15)20)16(21)23-2)10-7-3-5-9-6-4-8-17-11(9)10/h3-8H,1-2H3,(H,18,20)
InChIKeyQAPODCVKGUVAEM-UHFFFAOYSA-N
XLogP1.78
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate?
The IUPAC name of methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate (CID 91008803) is methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate is COC(=O)c1n[nH]c(-c2cccc3cccnc23)c(OC)c1=O.
What is the InChIKey of methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate?
The InChIKey is QAPODCVKGUVAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-22-15-12(18-19-13(14(15)20)16(21)23-2)10-7-3-5-9-6-4-8-17-11(9)10/h3-8H,1-2H3,(H,18,20).
What are the key properties of methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate?
methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-oxo-6-quinolin-8-yl-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 91008803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).