(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

C24H20N2O5 — CID 32616229

IUPAC(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2c1
InChIInChI=1S/C24H20N2O5/c1-29-20-9-7-17-8-10-21(16-18(17)15-20)31-24(28)22-11-12-23(27)26(25-22)13-14-30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3
InChIKeyPLYZAYXBTLVTSF-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.70
Rot. Bonds7

About (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (PubChem CID 32616229) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
PubChem CID32616229
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESCOc1ccc2ccc(OC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2c1
InChIInChI=1S/C24H20N2O5/c1-29-20-9-7-17-8-10-21(16-18(17)15-20)31-24(28)22-11-12-23(27)26(25-22)13-14-30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3
InChIKeyPLYZAYXBTLVTSF-UHFFFAOYSA-N
XLogP3.70
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetamidophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46552248
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
(2,4,6-trichlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615981
(4-bromo-2-chlorophenyl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32616046
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 42951918
1-(2-methoxyethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 46691833

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (CID 32616229) is (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is COc1ccc2ccc(OC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The InChIKey is PLYZAYXBTLVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-29-20-9-7-17-8-10-21(16-18(17)15-20)31-24(28)22-11-12-23(27)26(25-22)13-14-30-19-5-3-2-4-6-19/h2-12,15-16H,13-14H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate has a molecular weight of 416.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 32616229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).