4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one

C26H24N4O3 — CID 38574233

IUPAC4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
SMILESCOc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)c1
InChIInChI=1S/C26H24N4O3/c1-33-21-11-7-10-20(18-21)28-14-16-29(17-15-28)26(32)24-22-12-5-6-13-23(22)25(31)30(27-24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyVFDLLOWKHATDAQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.36
Rot. Bonds4

About 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one

4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one (PubChem CID 38574233) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
PubChem CID38574233
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
SMILESCOc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)c1
InChIInChI=1S/C26H24N4O3/c1-33-21-11-7-10-20(18-21)28-14-16-29(17-15-28)26(32)24-22-12-5-6-13-23(22)25(31)30(27-24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3
InChIKeyVFDLLOWKHATDAQ-UHFFFAOYSA-N
XLogP3.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
CID 4249553
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
4-(4-benzylpiperidine-1-carbonyl)-2-(3,5-dimethoxyphenyl)phthalazin-1-one
CID 3270418
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973
4-[4-(3,3-dimethylbutyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55905546
[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one (CID 38574233) is 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one is COc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one?
The InChIKey is VFDLLOWKHATDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-21-11-7-10-20(18-21)28-14-16-29(17-15-28)26(32)24-22-12-5-6-13-23(22)25(31)30(27-24)19-8-3-2-4-9-19/h2-13,18H,14-17H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one?
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one has a molecular weight of 440.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one is sourced from PubChem (CID 38574233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).