2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one

C16H12F2N2O3 — CID 17444229

IUPAC2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccc(F)cc3F)c(=O)c2c1OC
InChIInChI=1S/C16H12F2N2O3/c1-22-13-6-3-9-8-19-20(16(21)14(9)15(13)23-2)12-5-4-10(17)7-11(12)18/h3-8H,1-2H3
InChIKeyGRCXFYHHFCKMTH-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.68
Rot. Bonds3

About 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one

2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one (PubChem CID 17444229) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one
PubChem CID17444229
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Name2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccc(F)cc3F)c(=O)c2c1OC
InChIInChI=1S/C16H12F2N2O3/c1-22-13-6-3-9-8-19-20(16(21)14(9)15(13)23-2)12-5-4-10(17)7-11(12)18/h3-8H,1-2H3
InChIKeyGRCXFYHHFCKMTH-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one?
The IUPAC name of 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one (CID 17444229) is 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one is COc1ccc2cnn(-c3ccc(F)cc3F)c(=O)c2c1OC.
What is the InChIKey of 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one?
The InChIKey is GRCXFYHHFCKMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-22-13-6-3-9-8-19-20(16(21)14(9)15(13)23-2)12-5-4-10(17)7-11(12)18/h3-8H,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one?
2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one has a molecular weight of 318.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-7,8-dimethoxyphthalazin-1-one is sourced from PubChem (CID 17444229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).