[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone

C29H28Cl2N6O — CID 42878392

IUPAC[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H28Cl2N6O/c30-25-11-10-22(20-26(25)31)35-12-16-36(17-13-35)28-24-9-5-4-8-23(24)27(32-33-28)29(38)37-18-14-34(15-19-37)21-6-2-1-3-7-21/h1-11,20H,12-19H2
InChIKeyWRTXCDJELHUWFC-UHFFFAOYSA-N
MW547.49 g/mol
LogP5.23
Rot. Bonds4

About [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone

[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 42878392) has the molecular formula C29H28Cl2N6O and a molecular weight of 547.49 g/mol. Its IUPAC name is [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID42878392
Molecular FormulaC29H28Cl2N6O
Molecular Weight547.49 g/mol
Exact Mass546.17
IUPAC Name[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H28Cl2N6O/c30-25-11-10-22(20-26(25)31)35-12-16-36(17-13-35)28-24-9-5-4-8-23(24)27(32-33-28)29(38)37-18-14-34(15-19-37)21-6-2-1-3-7-21/h1-11,20H,12-19H2
InChIKeyWRTXCDJELHUWFC-UHFFFAOYSA-N
XLogP5.23
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.49
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
[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-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
CID 42691066
4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)phthalazine-1-carboxamide
CID 42878384
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
1-benzothiophen-3-yl-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 1223722
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 10094128
morpholin-4-yl-[4-(4-propan-2-ylpiperazin-1-yl)phthalazin-1-yl]methanone
CID 42690972
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropylphthalazine-1-carboxamide
CID 42690921

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone (CID 42878392) is [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WRTXCDJELHUWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N6O/c30-25-11-10-22(20-26(25)31)35-12-16-36(17-13-35)28-24-9-5-4-8-23(24)27(32-33-28)29(38)37-18-14-34(15-19-37)21-6-2-1-3-7-21/h1-11,20H,12-19H2.
What are the key properties of [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 547.49 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42878392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).