2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C22H25N3O6 — CID 52905386

IUPAC2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1OC
InChIInChI=1S/C22H25N3O6/c1-28-16-7-5-14(11-18(16)30-3)9-10-23-19(26)13-25-22(27)20-15(12-24-25)6-8-17(29-2)21(20)31-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyXSYREURPVDEGTC-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.79
Rot. Bonds9

About 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 52905386) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID52905386
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1OC
InChIInChI=1S/C22H25N3O6/c1-28-16-7-5-14(11-18(16)30-3)9-10-23-19(26)13-25-22(27)20-15(12-24-25)6-8-17(29-2)21(20)31-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)
InChIKeyXSYREURPVDEGTC-UHFFFAOYSA-N
XLogP1.79
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
CID 71710263
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 56763640
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 71701010
3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2365750
N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 71946737
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 53090734
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]acetamide
CID 20919823
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(4-methoxyphenyl)-2-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906172

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 52905386) is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)cc1OC.
What is the InChIKey of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is XSYREURPVDEGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-28-16-7-5-14(11-18(16)30-3)9-10-23-19(26)13-25-22(27)20-15(12-24-25)6-8-17(29-2)21(20)31-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26).
What are the key properties of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 427.46 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 52905386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).