2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one

C28H28N4O4 — CID 3443205

IUPAC2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCOc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-3-36-21-14-12-20(13-15-21)32-27(33)23-9-5-4-8-22(23)26(29-32)28(34)31-18-16-30(17-19-31)24-10-6-7-11-25(24)35-2/h4-15H,3,16-19H2,1-2H3
InChIKeyXQAGMACKAFPIRD-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one

2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one (PubChem CID 3443205) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
PubChem CID3443205
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESCCOc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-3-36-21-14-12-20(13-15-21)32-27(33)23-9-5-4-8-22(23)26(29-32)28(34)31-18-16-30(17-19-31)24-10-6-7-11-25(24)35-2/h4-15H,3,16-19H2,1-2H3
InChIKeyXQAGMACKAFPIRD-UHFFFAOYSA-N
XLogP3.76
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072247
2-(4-methoxyphenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 53008450
4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072242
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 15915779
4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
CID 41059504
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The IUPAC name of 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one (CID 3443205) is 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one is CCOc1ccc(-n2nc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
The InChIKey is XQAGMACKAFPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-3-36-21-14-12-20(13-15-21)32-27(33)23-9-5-4-8-22(23)26(29-32)28(34)31-18-16-30(17-19-31)24-10-6-7-11-25(24)35-2/h4-15H,3,16-19H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one?
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one has a molecular weight of 484.56 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 3443205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).