1-(2,4-dimethoxyphenyl)-4-methylphthalazine

C17H16N2O2 — CID 77092719

IUPAC1-(2,4-dimethoxyphenyl)-4-methylphthalazine
SMILESCOc1ccc(-c2nnc(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C17H16N2O2/c1-11-13-6-4-5-7-14(13)17(19-18-11)15-9-8-12(20-2)10-16(15)21-3/h4-10H,1-3H3
InChIKeyCNRAMGUFDNBVIR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)-4-methylphthalazine

1-(2,4-dimethoxyphenyl)-4-methylphthalazine (PubChem CID 77092719) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-methylphthalazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-methylphthalazine
PubChem CID77092719
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(2,4-dimethoxyphenyl)-4-methylphthalazine
SMILESCOc1ccc(-c2nnc(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C17H16N2O2/c1-11-13-6-4-5-7-14(13)17(19-18-11)15-9-8-12(20-2)10-16(15)21-3/h4-10H,1-3H3
InChIKeyCNRAMGUFDNBVIR-UHFFFAOYSA-N
XLogP3.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-methylphthalazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-methylphthalazine (CID 77092719) is 1-(2,4-dimethoxyphenyl)-4-methylphthalazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-methylphthalazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-methylphthalazine is COc1ccc(-c2nnc(C)c3ccccc23)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-methylphthalazine?
The InChIKey is CNRAMGUFDNBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-13-6-4-5-7-14(13)17(19-18-11)15-9-8-12(20-2)10-16(15)21-3/h4-10H,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-methylphthalazine?
1-(2,4-dimethoxyphenyl)-4-methylphthalazine has a molecular weight of 280.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-methylphthalazine is sourced from PubChem (CID 77092719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).