2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C22H24N4O5 — CID 70976193

IUPAC2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1OC
InChIInChI=1S/C22H24N4O5/c1-29-18-9-5-6-15(20(18)30-2)14-19(27)23-26-22(28)17-8-4-3-7-16(17)21(24-26)25-10-12-31-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyPLGPRJSJRMROEC-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.56
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 70976193) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID70976193
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1OC
InChIInChI=1S/C22H24N4O5/c1-29-18-9-5-6-15(20(18)30-2)14-19(27)23-26-22(28)17-8-4-3-7-16(17)21(24-26)25-10-12-31-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyPLGPRJSJRMROEC-UHFFFAOYSA-N
XLogP1.56
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 70976193) is 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is COc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is PLGPRJSJRMROEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-18-9-5-6-15(20(18)30-2)14-19(27)23-26-22(28)17-8-4-3-7-16(17)21(24-26)25-10-12-31-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 424.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70976193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).