4-benzyl-2-ethylphthalazin-1-one

C17H16N2O — CID 18336950

IUPAC4-benzyl-2-ethylphthalazin-1-one
SMILESCCn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H16N2O/c1-2-19-17(20)15-11-7-6-10-14(15)16(18-19)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyPMHUCZQWNDFUEX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.01
Rot. Bonds3

About 4-benzyl-2-ethylphthalazin-1-one

4-benzyl-2-ethylphthalazin-1-one (PubChem CID 18336950) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-benzyl-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-benzyl-2-ethylphthalazin-1-one
PubChem CID18336950
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-benzyl-2-ethylphthalazin-1-one
SMILESCCn1nc(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H16N2O/c1-2-19-17(20)15-11-7-6-10-14(15)16(18-19)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyPMHUCZQWNDFUEX-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethylphthalazin-1-one?
The IUPAC name of 4-benzyl-2-ethylphthalazin-1-one (CID 18336950) is 4-benzyl-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-benzyl-2-ethylphthalazin-1-one?
The canonical SMILES for 4-benzyl-2-ethylphthalazin-1-one is CCn1nc(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 4-benzyl-2-ethylphthalazin-1-one?
The InChIKey is PMHUCZQWNDFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-19-17(20)15-11-7-6-10-14(15)16(18-19)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 4-benzyl-2-ethylphthalazin-1-one?
4-benzyl-2-ethylphthalazin-1-one has a molecular weight of 264.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethylphthalazin-1-one is sourced from PubChem (CID 18336950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).