4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one

C16H13ClN2O — CID 11522042

IUPAC4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one
SMILESCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyQZOXWSKLFOUEKD-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.18
Rot. Bonds2

About 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one

4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one (PubChem CID 11522042) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one
PubChem CID11522042
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one
SMILESCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
InChIInChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKeyQZOXWSKLFOUEKD-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one (CID 11522042) is 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one is Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one?
The InChIKey is QZOXWSKLFOUEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one?
4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one has a molecular weight of 284.75 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 11522042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).