(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate

C18H14N2O4 — CID 1472470

IUPAC(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H14N2O4/c1-23-15-9-7-13(8-10-15)18(22)24-16-11-12-17(21)20(19-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyCVWUDPMGMNLYGX-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.46
Rot. Bonds4

About (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate

(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate (PubChem CID 1472470) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate
PubChem CID1472470
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H14N2O4/c1-23-15-9-7-13(8-10-15)18(22)24-16-11-12-17(21)20(19-16)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyCVWUDPMGMNLYGX-UHFFFAOYSA-N
XLogP2.46
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate?
The IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate (CID 1472470) is (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate.
What is the SMILES notation for (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate?
The canonical SMILES for (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate?
The InChIKey is CVWUDPMGMNLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-23-15-9-7-13(8-10-15)18(22)24-16-11-12-17(21)20(19-16)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate?
(6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate has a molecular weight of 322.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1-phenylpyridazin-3-yl) 4-methoxybenzoate is sourced from PubChem (CID 1472470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).