4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one

C21H22ClN3O2 — CID 110187686

IUPAC4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one
SMILESCN1CCC(n2nc(Cc3ccc(Cl)cc3)c3cc(O)ccc3c2=O)CC1
InChIInChI=1S/C21H22ClN3O2/c1-24-10-8-16(9-11-24)25-21(27)18-7-6-17(26)13-19(18)20(23-25)12-14-2-4-15(22)5-3-14/h2-7,13,16,26H,8-12H2,1H3
InChIKeyCPQMHZDBYZASPB-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.61
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one

4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one (PubChem CID 110187686) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one
PubChem CID110187686
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one
SMILESCN1CCC(n2nc(Cc3ccc(Cl)cc3)c3cc(O)ccc3c2=O)CC1
InChIInChI=1S/C21H22ClN3O2/c1-24-10-8-16(9-11-24)25-21(27)18-7-6-17(26)13-19(18)20(23-25)12-14-2-4-15(22)5-3-14/h2-7,13,16,26H,8-12H2,1H3
InChIKeyCPQMHZDBYZASPB-UHFFFAOYSA-N
XLogP3.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)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-[(4-chlorophenyl)methyl]-2-[1-(3-hydroxypropyl)piperidin-4-yl]phthalazin-1-one
CID 110187764
4-[(4-chlorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phthalazin-1-one
CID 110186118
4-[(4-chlorophenyl)methyl]-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]phthalazin-1-one
CID 110187816
2-(1-methylazepan-4-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]phthalazin-1-one
CID 110187414
4-[(4-chlorophenyl)methyl]-2-[(4R)-1-methyl-1-oxidoazepan-1-ium-4-yl]phthalazin-1-one
CID 71313563
4-[(4-chlorophenyl)methyl]-2-(1,1-dimethylazepan-1-ium-4-yl)phthalazin-1-one
CID 110186147
2-[1-(4-aminobutyl)azepan-4-yl]-4-[(4-chlorophenyl)methyl]phthalazin-1-one;hydrochloride
CID 67548733
4-[(4-chlorophenyl)methyl]-2-[(1-methylpyrrolidin-3-yl)methyl]phthalazin-1-one
CID 52937119
4-[(4-chlorophenyl)methyl]-2-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]phthalazin-1-one
CID 3066461
4-[(4-chlorophenyl)methyl]-2-[1-(3-phenylpropyl)azepan-4-yl]phthalazin-1-one;hydrochloride
CID 3066466
4-[(4-chlorophenyl)methyl]-5,6,7,8-tetradeuterio-2-[1-(1,1-dideuterioethyl)azepan-4-yl]phthalazin-1-one
CID 59351094
4-[(4-chlorophenyl)methyl]-2-[1-[3-(3,4-dimethoxyphenyl)propyl]azepan-4-yl]phthalazin-1-one
CID 3066475

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one (CID 110187686) is 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one is CN1CCC(n2nc(Cc3ccc(Cl)cc3)c3cc(O)ccc3c2=O)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one?
The InChIKey is CPQMHZDBYZASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-24-10-8-16(9-11-24)25-21(27)18-7-6-17(26)13-19(18)20(23-25)12-14-2-4-15(22)5-3-14/h2-7,13,16,26H,8-12H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one?
4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one has a molecular weight of 383.88 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-hydroxy-2-(1-methylpiperidin-4-yl)phthalazin-1-one is sourced from PubChem (CID 110187686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).