4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide

C22H24ClN5O2 — CID 42690850

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
SMILESCOCCNC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C22H24ClN5O2/c1-30-15-10-24-22(29)20-16-6-2-3-7-17(16)21(26-25-20)28-13-11-27(12-14-28)19-9-5-4-8-18(19)23/h2-9H,10-15H2,1H3,(H,24,29)
InChIKeyDGHYVDDTPNKKQD-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.99
Rot. Bonds6

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide

4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide (PubChem CID 42690850) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
PubChem CID42690850
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide
SMILESCOCCNC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12
InChIInChI=1S/C22H24ClN5O2/c1-30-15-10-24-22(29)20-16-6-2-3-7-17(16)21(26-25-20)28-13-11-27(12-14-28)19-9-5-4-8-18(19)23/h2-9H,10-15H2,1H3,(H,24,29)
InChIKeyDGHYVDDTPNKKQD-UHFFFAOYSA-N
XLogP2.99
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
N-benzyl-4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690841
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
4-piperidin-1-yl-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 42690593
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 24719436
N-(3-methoxypropyl)-4-(2-methylpiperidin-1-yl)phthalazine-1-carboxamide
CID 42690821
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 42690916
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]phthalazine-1-carboxamide
CID 42878256

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide (CID 42690850) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide is COCCNC(=O)c1nnc(N2CCN(c3ccccc3Cl)CC2)c2ccccc12.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide?
The InChIKey is DGHYVDDTPNKKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-30-15-10-24-22(29)20-16-6-2-3-7-17(16)21(26-25-20)28-13-11-27(12-14-28)19-9-5-4-8-18(19)23/h2-9H,10-15H2,1H3,(H,24,29).
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide?
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 42690850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).