6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one

C23H23ClN4O2 — CID 3617295

IUPAC6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-8-6-18(7-9-19)21-10-11-23(30)28(25-21)13-12-22(29)27-16-14-26(15-17-27)20-4-2-1-3-5-20/h1-11H,12-17H2
InChIKeyBKJQBIOQCPRKDY-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.30
Rot. Bonds5

About 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one (PubChem CID 3617295) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
PubChem CID3617295
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H23ClN4O2/c24-19-8-6-18(7-9-19)21-10-11-23(30)28(25-21)13-12-22(29)27-16-14-26(15-17-27)20-4-2-1-3-5-20/h1-11H,12-17H2
InChIKeyBKJQBIOQCPRKDY-UHFFFAOYSA-N
XLogP3.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3(2H)-one
CID 3238871
6-(4-methylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3(2H)-one
CID 3550186
N-{2-[4-(3-Chlorophenyl)piperazin-1-YL]ethyl}-2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-YL)acetamide
CID 4067222
2-(2-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-2-oxoethyl)-6-(p-tolyl)pyridazin-3(2H)-one
CID 4582579
1-benzyl-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-6-oxopyridazine-3-carboxamide
CID 24686915
N-[3-[1-[3-[3-(4-chlorophenyl)-4,5-dimethyl-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57390738
N-[3-[1-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57397816
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57401248
N-(4-(1-(4-Chlorobenzyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)acetamide
CID 137645399
Piperazine, 1-(3-(4-chlorophenyl)-2-methyl-1-oxo-2-propenyl)-4-phenyl-
CID 6109138
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3(2H)-one
CID 3432247
2-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3550185

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one (CID 3617295) is 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is BKJQBIOQCPRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c24-19-8-6-18(7-9-19)21-10-11-23(30)28(25-21)13-12-22(29)27-16-14-26(15-17-27)20-4-2-1-3-5-20/h1-11H,12-17H2.
What are the key properties of 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 422.92 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 3617295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).