[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone

C25H21ClN4O — CID 46891105

IUPAC[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)23-19-10-4-5-11-20(19)24(28-27-23)29-14-16-30(17-15-29)25(31)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyOUHVCVFZMGZUSS-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.91
Rot. Bonds3

About [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone

[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 46891105) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
PubChem CID46891105
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1
InChIInChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)23-19-10-4-5-11-20(19)24(28-27-23)29-14-16-30(17-15-29)25(31)18-8-2-1-3-9-18/h1-13H,14-17H2
InChIKeyOUHVCVFZMGZUSS-UHFFFAOYSA-N
XLogP4.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-phenylmethanone
CID 53203708
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 123439855
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
2-[2-oxo-2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 664563
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone (CID 46891105) is [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nnc(-c3ccccc3Cl)c3ccccc23)CC1.
What is the InChIKey of [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is OUHVCVFZMGZUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c26-22-13-7-6-12-21(22)23-19-10-4-5-11-20(19)24(28-27-23)29-14-16-30(17-15-29)25(31)18-8-2-1-3-9-18/h1-13H,14-17H2.
What are the key properties of [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 428.92 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46891105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).