N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C21H22N4O4 — CID 53137052

IUPACN-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-28-16-8-6-15(7-9-16)22-19(26)14-25-21(27)18-5-3-2-4-17(18)20(23-25)24-10-12-29-13-11-24/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyCSLRWCDAGBQHIR-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.88
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 53137052) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID53137052
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-28-16-8-6-15(7-9-16)22-19(26)14-25-21(27)18-5-3-2-4-17(18)20(23-25)24-10-12-29-13-11-24/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyCSLRWCDAGBQHIR-UHFFFAOYSA-N
XLogP1.88
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 53137052) is N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is COc1ccc(NC(=O)Cn2nc(N3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is CSLRWCDAGBQHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-16-8-6-15(7-9-16)22-19(26)14-25-21(27)18-5-3-2-4-17(18)20(23-25)24-10-12-29-13-11-24/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 53137052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).