2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one

C15H10Cl2N2O — CID 745846

IUPAC2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(16)8-13(14)17/h2-8H,1H3
InChIKeyVWOICHOMQVSPIY-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.00
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one

2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one (PubChem CID 745846) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
PubChem CID745846
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(16)8-13(14)17/h2-8H,1H3
InChIKeyVWOICHOMQVSPIY-UHFFFAOYSA-N
XLogP4.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one (CID 745846) is 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one is Cc1nn(-c2ccc(Cl)cc2Cl)c(=O)c2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one?
The InChIKey is VWOICHOMQVSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-9-11-4-2-3-5-12(11)15(20)19(18-9)14-7-6-10(16)8-13(14)17/h2-8H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one?
2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one has a molecular weight of 305.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one is sourced from PubChem (CID 745846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).