2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

C26H24N4O2 — CID 662606

IUPAC2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O2/c31-24(19-32-21-11-5-2-6-12-21)29-15-17-30(18-16-29)26-23-14-8-7-13-22(23)25(27-28-26)20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyGYWVOYXLKZVCGE-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.02
Rot. Bonds5

About 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone

2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (PubChem CID 662606) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
PubChem CID662606
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C26H24N4O2/c31-24(19-32-21-11-5-2-6-12-21)29-15-17-30(18-16-29)26-23-14-8-7-13-22(23)25(27-28-26)20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyGYWVOYXLKZVCGE-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
2-Furyl 4-[4-(4-methylphenyl)phthalazinyl]piperazinyl ketone
CID 662369
N-Methyl-2-[4-(4-methyl-phthalazin-1-ylamino)-phenoxy]-acetamide
CID 16682703
2-(4-Methoxyphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662795
N-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-phenoxy-N-phenylacetamide
CID 1511196
N,N-diethyl-2-{4-[4-(piperidin-1-yl)phthalazin-1-yl]phenoxy}acetamide
CID 3246775
1-(4-Ethoxyphenyl)-4-(piperidin-1-yl)phthalazine
CID 6401112
2-(4-Nitrophenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 6404186
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]-2-phenoxyethanone
CID 6407344
4-[4-(4-Ethoxyphenyl)phthalazin-1-yl]morpholine
CID 6401111
2-phenoxy-N-[(6-phenyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]acetamide
CID 1938572
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone (CID 662606) is 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
The InChIKey is GYWVOYXLKZVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-24(19-32-21-11-5-2-6-12-21)29-15-17-30(18-16-29)26-23-14-8-7-13-22(23)25(27-28-26)20-9-3-1-4-10-20/h1-14H,15-19H2.
What are the key properties of 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone?
2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone has a molecular weight of 424.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 662606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).