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

C25H20Cl2N4O2 — CID 15915779

IUPAC2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESO=C(c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H20Cl2N4O2/c26-17-9-11-18(12-10-17)31-24(32)20-6-2-1-5-19(20)23(28-31)25(33)30-15-13-29(14-16-30)22-8-4-3-7-21(22)27/h1-12H,13-16H2
InChIKeyIQIWUWFQKXEQOG-UHFFFAOYSA-N
MW479.37 g/mol
LogP4.65
Rot. Bonds3

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

2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one (PubChem CID 15915779) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
PubChem CID15915779
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
SMILESO=C(c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H20Cl2N4O2/c26-17-9-11-18(12-10-17)31-24(32)20-6-2-1-5-19(20)23(28-31)25(33)30-15-13-29(14-16-30)22-8-4-3-7-21(22)27/h1-12H,13-16H2
InChIKeyIQIWUWFQKXEQOG-UHFFFAOYSA-N
XLogP4.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one
CID 171630631
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
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
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
2-(2,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 22333973

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one (CID 15915779) is 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one is O=C(c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one?
The InChIKey is IQIWUWFQKXEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c26-17-9-11-18(12-10-17)31-24(32)20-6-2-1-5-19(20)23(28-31)25(33)30-15-13-29(14-16-30)22-8-4-3-7-21(22)27/h1-12H,13-16H2.
What are the key properties of 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one?
2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one has a molecular weight of 479.37 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one is sourced from PubChem (CID 15915779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).