7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one

C17H16N2O3 — CID 920311

IUPAC7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccc(C)cc3)c(=O)c2c1OC
InChIInChI=1S/C17H16N2O3/c1-11-4-7-13(8-5-11)19-17(20)15-12(10-18-19)6-9-14(21-2)16(15)22-3/h4-10H,1-3H3
InChIKeyTWPXAUWWMFEOEX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.71
Rot. Bonds3

About 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one

7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one (PubChem CID 920311) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one
PubChem CID920311
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one
SMILESCOc1ccc2cnn(-c3ccc(C)cc3)c(=O)c2c1OC
InChIInChI=1S/C17H16N2O3/c1-11-4-7-13(8-5-11)19-17(20)15-12(10-18-19)6-9-14(21-2)16(15)22-3/h4-10H,1-3H3
InChIKeyTWPXAUWWMFEOEX-UHFFFAOYSA-N
XLogP2.71
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.71
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-(4-methylphenyl)phthalazin-1-one?
The IUPAC name of 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one (CID 920311) is 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one.
What is the SMILES notation for 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one?
The canonical SMILES for 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one is COc1ccc2cnn(-c3ccc(C)cc3)c(=O)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one?
The InChIKey is TWPXAUWWMFEOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-4-7-13(8-5-11)19-17(20)15-12(10-18-19)6-9-14(21-2)16(15)22-3/h4-10H,1-3H3.
What are the key properties of 7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one?
7,8-dimethoxy-2-(4-methylphenyl)phthalazin-1-one has a molecular weight of 296.33 g/mol, XLogP of 2.71, 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-(4-methylphenyl)phthalazin-1-one is sourced from PubChem (CID 920311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).