2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one

C20H23N3O3 — CID 25199416

IUPAC2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccc2c(=O)n(CCN(C)C)nc(-c3ccccc3OC)c2c1
InChIInChI=1S/C20H23N3O3/c1-22(2)11-12-23-20(24)15-10-9-14(25-3)13-17(15)19(21-23)16-7-5-6-8-18(16)26-4/h5-10,13H,11-12H2,1-4H3
InChIKeyXODISPQYQVBQGN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one

2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one (PubChem CID 25199416) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one
PubChem CID25199416
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one
SMILESCOc1ccc2c(=O)n(CCN(C)C)nc(-c3ccccc3OC)c2c1
InChIInChI=1S/C20H23N3O3/c1-22(2)11-12-23-20(24)15-10-9-14(25-3)13-17(15)19(21-23)16-7-5-6-8-18(16)26-4/h5-10,13H,11-12H2,1-4H3
InChIKeyXODISPQYQVBQGN-UHFFFAOYSA-N
XLogP2.64
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one (CID 25199416) is 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one is COc1ccc2c(=O)n(CCN(C)C)nc(-c3ccccc3OC)c2c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one?
The InChIKey is XODISPQYQVBQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)11-12-23-20(24)15-10-9-14(25-3)13-17(15)19(21-23)16-7-5-6-8-18(16)26-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one?
2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methoxy-4-(2-methoxyphenyl)phthalazin-1-one is sourced from PubChem (CID 25199416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).