methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate

C13H14N2O5 — CID 45490728

IUPACmethyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C13H14N2O5/c1-18-9-5-4-8-6-14-15(7-10(16)19-2)13(17)11(8)12(9)20-3/h4-6H,7H2,1-3H3
InChIKeyIRRFQOVGKSDKNE-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.59
Rot. Bonds4

About methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate

methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate (PubChem CID 45490728) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
PubChem CID45490728
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
SMILESCOC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C13H14N2O5/c1-18-9-5-4-8-6-14-15(7-10(16)19-2)13(17)11(8)12(9)20-3/h4-6H,7H2,1-3H3
InChIKeyIRRFQOVGKSDKNE-UHFFFAOYSA-N
XLogP0.59
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate?
The IUPAC name of methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate (CID 45490728) is methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate?
The canonical SMILES for methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate is COC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O.
What is the InChIKey of methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate?
The InChIKey is IRRFQOVGKSDKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-18-9-5-4-8-6-14-15(7-10(16)19-2)13(17)11(8)12(9)20-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate?
methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate has a molecular weight of 278.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 45490728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).