2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone

C28H28N4O3 — CID 6407386

IUPAC2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccc(C)cc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C28H28N4O3/c1-20-7-9-21(10-8-20)27-24-5-3-4-6-25(24)28(30-29-27)32-17-15-31(16-18-32)26(33)19-35-23-13-11-22(34-2)12-14-23/h3-14H,15-19H2,1-2H3
InChIKeyXOESIHXJXGAJKJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone

2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone (PubChem CID 6407386) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
PubChem CID6407386
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccc(C)cc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C28H28N4O3/c1-20-7-9-21(10-8-20)27-24-5-3-4-6-25(24)28(30-29-27)32-17-15-31(16-18-32)26(33)19-35-23-13-11-22(34-2)12-14-23/h3-14H,15-19H2,1-2H3
InChIKeyXOESIHXJXGAJKJ-UHFFFAOYSA-N
XLogP4.34
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-p-Tolyloxy-1-[4-(4-p-tolyl-phthalazin-1-yl)-piperazin-1-yl]-ethanone
CID 6407401
2-Phenoxy-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662606
2-(4-Methoxyphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 662795
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
1-(4-Ethoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401111
2-Furyl 4-[4-(4-methylphenyl)phthalazinyl]piperazinyl ketone
CID 662369
1-(4-Methoxyphenyl)-4-(morpholin-4-yl)phthalazine
CID 6401297
N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-2-phenoxy-acetamide
CID 7593156
2-(4-Methylphenoxy)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2951748

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone (CID 6407386) is 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone is COc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccc(C)cc4)c4ccccc34)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone?
The InChIKey is XOESIHXJXGAJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-20-7-9-21(10-8-20)27-24-5-3-4-6-25(24)28(30-29-27)32-17-15-31(16-18-32)26(33)19-35-23-13-11-22(34-2)12-14-23/h3-14H,15-19H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone?
2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone has a molecular weight of 468.56 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 6407386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).