4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one

C16H12Cl2N2O — CID 15959114

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one
SMILESCn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C16H12Cl2N2O/c1-20-16(21)12-5-3-2-4-11(12)15(19-20)9-10-6-7-13(17)14(18)8-10/h2-8H,9H2,1H3
InChIKeyQQEFWLMTNKDQDO-UHFFFAOYSA-N
MW319.19 g/mol
LogP3.83
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one

4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one (PubChem CID 15959114) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one
PubChem CID15959114
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one
SMILESCn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O
InChIInChI=1S/C16H12Cl2N2O/c1-20-16(21)12-5-3-2-4-11(12)15(19-20)9-10-6-7-13(17)14(18)8-10/h2-8H,9H2,1H3
InChIKeyQQEFWLMTNKDQDO-UHFFFAOYSA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-6,7-dichloro-2-methylphthalazin-1-one
CID 15959100
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
4-benzyl-2,6-dimethylphthalazin-1-one
CID 15959130
2-methyl-1-oxo-4-[[4-(sulfinoamino)phenyl]methyl]phthalazine
CID 166523668
4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one
CID 160938429
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
4-[(4-chlorophenyl)methyl]-2-[(1-methylpyrrolidin-3-yl)methyl]phthalazin-1-one
CID 52937119
4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methylphthalazin-1-one
CID 564095
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
CID 71779496
4-benzyl-2-ethylphthalazin-1-one
CID 18336950
4-[(4-chlorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phthalazin-1-one
CID 110186118
2-methyl-4-[3-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxopropyl]phthalazin-1-one
CID 157130488

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one (CID 15959114) is 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one is Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one?
The InChIKey is QQEFWLMTNKDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-20-16(21)12-5-3-2-4-11(12)15(19-20)9-10-6-7-13(17)14(18)8-10/h2-8H,9H2,1H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one?
4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one has a molecular weight of 319.19 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 15959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).