7,8-dimethoxy-2-phenylphthalazin-1-one

C16H14N2O3 — CID 715336

IUPAC7,8-dimethoxy-2-phenylphthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-9-8-11-10-17-18(12-6-4-3-5-7-12)16(19)14(11)15(13)21-2/h3-10H,1-2H3
InChIKeyIACDUASPIAJPBI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.40
Rot. Bonds3

About 7,8-dimethoxy-2-phenylphthalazin-1-one

7,8-dimethoxy-2-phenylphthalazin-1-one (PubChem CID 715336) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7,8-dimethoxy-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-phenylphthalazin-1-one
PubChem CID715336
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name7,8-dimethoxy-2-phenylphthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-9-8-11-10-17-18(12-6-4-3-5-7-12)16(19)14(11)15(13)21-2/h3-10H,1-2H3
InChIKeyIACDUASPIAJPBI-UHFFFAOYSA-N
XLogP2.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-phenylphthalazin-1-one?
The IUPAC name of 7,8-dimethoxy-2-phenylphthalazin-1-one (CID 715336) is 7,8-dimethoxy-2-phenylphthalazin-1-one.
What is the SMILES notation for 7,8-dimethoxy-2-phenylphthalazin-1-one?
The canonical SMILES for 7,8-dimethoxy-2-phenylphthalazin-1-one is COc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-2-phenylphthalazin-1-one?
The InChIKey is IACDUASPIAJPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-9-8-11-10-17-18(12-6-4-3-5-7-12)16(19)14(11)15(13)21-2/h3-10H,1-2H3.
What are the key properties of 7,8-dimethoxy-2-phenylphthalazin-1-one?
7,8-dimethoxy-2-phenylphthalazin-1-one has a molecular weight of 282.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-phenylphthalazin-1-one is sourced from PubChem (CID 715336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).