2-benzyl-8-hydroxy-4-methylphthalazin-1-one

C16H14N2O2 — CID 5492997

IUPAC2-benzyl-8-hydroxy-4-methylphthalazin-1-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c(O)cccc12
InChIInChI=1S/C16H14N2O2/c1-11-13-8-5-9-14(19)15(13)16(20)18(17-11)10-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3
InChIKeyUONGKPROLHLAKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds2

About 2-benzyl-8-hydroxy-4-methylphthalazin-1-one

2-benzyl-8-hydroxy-4-methylphthalazin-1-one (PubChem CID 5492997) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-8-hydroxy-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-benzyl-8-hydroxy-4-methylphthalazin-1-one
PubChem CID5492997
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-benzyl-8-hydroxy-4-methylphthalazin-1-one
SMILESCc1nn(Cc2ccccc2)c(=O)c2c(O)cccc12
InChIInChI=1S/C16H14N2O2/c1-11-13-8-5-9-14(19)15(13)16(20)18(17-11)10-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3
InChIKeyUONGKPROLHLAKO-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-8-hydroxy-4-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 2-benzyl-8-hydroxy-4-methylphthalazin-1-one?
The IUPAC name of 2-benzyl-8-hydroxy-4-methylphthalazin-1-one (CID 5492997) is 2-benzyl-8-hydroxy-4-methylphthalazin-1-one.
What is the SMILES notation for 2-benzyl-8-hydroxy-4-methylphthalazin-1-one?
The canonical SMILES for 2-benzyl-8-hydroxy-4-methylphthalazin-1-one is Cc1nn(Cc2ccccc2)c(=O)c2c(O)cccc12.
What is the InChIKey of 2-benzyl-8-hydroxy-4-methylphthalazin-1-one?
The InChIKey is UONGKPROLHLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-13-8-5-9-14(19)15(13)16(20)18(17-11)10-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3.
What are the key properties of 2-benzyl-8-hydroxy-4-methylphthalazin-1-one?
2-benzyl-8-hydroxy-4-methylphthalazin-1-one has a molecular weight of 266.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-hydroxy-4-methylphthalazin-1-one is sourced from PubChem (CID 5492997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).