4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one

C19H20ClN4O+ — CID 6987170

IUPAC4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C19H19ClN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18-16-3-1-2-4-17(16)19(25)22-21-18/h1-8H,9-13H2,(H,22,25)/p+1
InChIKeyQFULQDFAECXGOG-UHFFFAOYSA-O
MW355.85 g/mol
LogP1.48
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one

4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one (PubChem CID 6987170) has the molecular formula C19H20ClN4O+ and a molecular weight of 355.85 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one
PubChem CID6987170
Molecular FormulaC19H20ClN4O+
Molecular Weight355.85 g/mol
Exact Mass355.13
IUPAC Name4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C19H19ClN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18-16-3-1-2-4-17(16)19(25)22-21-18/h1-8H,9-13H2,(H,22,25)/p+1
InChIKeyQFULQDFAECXGOG-UHFFFAOYSA-O
XLogP1.48
TPSA53.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one 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-[(2,4-dichloroanilino)methyl]-1(2H)-phthalazinone
CID 371946
4-(anilinomethyl)-1(2H)-phthalazinone
CID 1482294
2-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 168282377
N-(2,4-dichlorophenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 1122988
N-(4-chlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 718212
N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 2991140
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 4844498
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394271
N-[3-[1-[3-[4-(2-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57401251
N-[3-[1-[3-[4-(3-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57402993
N-(4-chloro-3-fluoro-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 70851046
N-(4-chloro-3-methyl-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552094

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one (CID 6987170) is 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one is O=c1[nH]nc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c2ccccc12.
What is the InChIKey of 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one?
The InChIKey is QFULQDFAECXGOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19ClN4O/c20-14-5-7-15(8-6-14)24-11-9-23(10-12-24)13-18-16-3-1-2-4-17(16)19(25)22-21-18/h1-8H,9-13H2,(H,22,25)/p+1.
What are the key properties of 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one?
4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one has a molecular weight of 355.85 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 6987170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).