4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one

C20H19ClN4O2 — CID 2683196

IUPAC4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O2/c1-23-19(26)17-8-3-2-7-16(17)18(22-23)20(27)25-11-9-24(10-12-25)15-6-4-5-14(21)13-15/h2-8,13H,9-12H2,1H3
InChIKeyGBPHTOVGXOXZIA-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.55
Rot. Bonds2

About 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one (PubChem CID 2683196) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
PubChem CID2683196
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O
InChIInChI=1S/C20H19ClN4O2/c1-23-19(26)17-8-3-2-7-16(17)18(22-23)20(27)25-11-9-24(10-12-25)15-6-4-5-14(21)13-15/h2-8,13H,9-12H2,1H3
InChIKeyGBPHTOVGXOXZIA-UHFFFAOYSA-N
XLogP2.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 9146689
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
2-methyl-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630479
5-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171631002
4-[4-[3-(difluoromethoxy)-5-fluorophenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630598
4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2710661
4-[4-[3-fluoro-5-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171631032
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 9148252
[4-(3-chlorophenyl)piperazin-1-yl]-(1-methyl-4H-chromeno[3,4-d]pyrazol-3-yl)methanone
CID 22516820
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one (CID 2683196) is 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one is Cn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The InChIKey is GBPHTOVGXOXZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-23-19(26)17-8-3-2-7-16(17)18(22-23)20(27)25-11-9-24(10-12-25)15-6-4-5-14(21)13-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one has a molecular weight of 382.85 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 2683196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).