2-(4-bromophenyl)-4-methylphthalazin-1-one

C15H11BrN2O — CID 755477

IUPAC2-(4-bromophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H11BrN2O/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(16)7-9-12/h2-9H,1H3
InChIKeyXQMYCQQCDKDZGI-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.46
Rot. Bonds1

About 2-(4-bromophenyl)-4-methylphthalazin-1-one

2-(4-bromophenyl)-4-methylphthalazin-1-one (PubChem CID 755477) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methylphthalazin-1-one
PubChem CID755477
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(4-bromophenyl)-4-methylphthalazin-1-one
SMILESCc1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12
InChIInChI=1S/C15H11BrN2O/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(16)7-9-12/h2-9H,1H3
InChIKeyXQMYCQQCDKDZGI-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(4-bromophenyl)-4-methylphthalazin-1-one (CID 755477) is 2-(4-bromophenyl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(4-bromophenyl)-4-methylphthalazin-1-one is Cc1nn(-c2ccc(Br)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-4-methylphthalazin-1-one?
The InChIKey is XQMYCQQCDKDZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(16)7-9-12/h2-9H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methylphthalazin-1-one?
2-(4-bromophenyl)-4-methylphthalazin-1-one has a molecular weight of 315.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methylphthalazin-1-one is sourced from PubChem (CID 755477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).