6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one

C22H25N3O3 — CID 166126415

IUPAC6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one
SMILESCOc1cccc(-c2ccc3c(=O)n(CCN4CCOCC4)ncc3c2)c1C
InChIInChI=1S/C22H25N3O3/c1-16-19(4-3-5-21(16)27-2)17-6-7-20-18(14-17)15-23-25(22(20)26)9-8-24-10-12-28-13-11-24/h3-7,14-15H,8-13H2,1-2H3
InChIKeyZQPRTRISEBHVGO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.71
Rot. Bonds5

About 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one

6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one (PubChem CID 166126415) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one.

Molecular Properties

Compound Name6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one
PubChem CID166126415
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one
SMILESCOc1cccc(-c2ccc3c(=O)n(CCN4CCOCC4)ncc3c2)c1C
InChIInChI=1S/C22H25N3O3/c1-16-19(4-3-5-21(16)27-2)17-6-7-20-18(14-17)15-23-25(22(20)26)9-8-24-10-12-28-13-11-24/h3-7,14-15H,8-13H2,1-2H3
InChIKeyZQPRTRISEBHVGO-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one?
The IUPAC name of 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one (CID 166126415) is 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one.
What is the SMILES notation for 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one?
The canonical SMILES for 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one is COc1cccc(-c2ccc3c(=O)n(CCN4CCOCC4)ncc3c2)c1C.
What is the InChIKey of 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one?
The InChIKey is ZQPRTRISEBHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-19(4-3-5-21(16)27-2)17-6-7-20-18(14-17)15-23-25(22(20)26)9-8-24-10-12-28-13-11-24/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one?
6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one has a molecular weight of 379.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-2-methylphenyl)-2-(2-morpholin-4-ylethyl)phthalazin-1-one is sourced from PubChem (CID 166126415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).