2-phenyl-4-thiophen-2-ylphthalazin-1-one

C18H12N2OS — CID 4053882

IUPAC2-phenyl-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-15-10-5-4-9-14(15)17(16-11-6-12-22-16)19-20(18)13-7-2-1-3-8-13/h1-12H
InChIKeyRQOAXEHMLOWSFL-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.11
Rot. Bonds2

About 2-phenyl-4-thiophen-2-ylphthalazin-1-one

2-phenyl-4-thiophen-2-ylphthalazin-1-one (PubChem CID 4053882) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-phenyl-4-thiophen-2-ylphthalazin-1-one
PubChem CID4053882
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name2-phenyl-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-15-10-5-4-9-14(15)17(16-11-6-12-22-16)19-20(18)13-7-2-1-3-8-13/h1-12H
InChIKeyRQOAXEHMLOWSFL-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-2-ylphthalazin-1-one?
The IUPAC name of 2-phenyl-4-thiophen-2-ylphthalazin-1-one (CID 4053882) is 2-phenyl-4-thiophen-2-ylphthalazin-1-one.
What is the SMILES notation for 2-phenyl-4-thiophen-2-ylphthalazin-1-one?
The canonical SMILES for 2-phenyl-4-thiophen-2-ylphthalazin-1-one is O=c1c2ccccc2c(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of 2-phenyl-4-thiophen-2-ylphthalazin-1-one?
The InChIKey is RQOAXEHMLOWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18-15-10-5-4-9-14(15)17(16-11-6-12-22-16)19-20(18)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 2-phenyl-4-thiophen-2-ylphthalazin-1-one?
2-phenyl-4-thiophen-2-ylphthalazin-1-one has a molecular weight of 304.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-2-ylphthalazin-1-one is sourced from PubChem (CID 4053882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).