7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one

C18H18N2O4 — CID 661377

IUPAC7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one
SMILESCOc1ccc2cnn(CCOc3ccccc3)c(=O)c2c1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-9-8-13-12-19-20(18(21)16(13)17(15)23-2)10-11-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyHTOXAXZQDXYDFM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.49
Rot. Bonds6

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

7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one (PubChem CID 661377) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one
PubChem CID661377
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one
SMILESCOc1ccc2cnn(CCOc3ccccc3)c(=O)c2c1OC
InChIInChI=1S/C18H18N2O4/c1-22-15-9-8-13-12-19-20(18(21)16(13)17(15)23-2)10-11-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyHTOXAXZQDXYDFM-UHFFFAOYSA-N
XLogP2.49
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7,8-Dimethoxy-1(2H)-phthalazinone
CID 663985
2-Benzyl-4-(3,4-dimethoxyphenyl)phthalazin-1-one
CID 10904782
2-Benzyl-7,8-dimethoxyphthalazin-1-one
CID 659546
2-(2-phenoxyethyl)-1(2H)-phthalazinone
CID 803124
2-[2-(2-ethoxyphenoxy)ethyl]-7,8-dimethoxyphthalazin-1(2H)-one
CID 1829152
(2Z)-N-benzyl-8-methoxy-2-[(3-methoxybenzoyl)hydrazono]-2H-chromene-3-carboxamide
CID 6024778
N'-[(E)-(3-Ethoxy-4-methoxyphenyl)methylidene]-4-[(morpholin-4-YL)methyl]benzohydrazide
CID 9593546
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-N-methylbenzamide
CID 71453591
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-methoxy-N-methylbenzamide
CID 71455328
2-[2-(2,4-dimethylphenoxy)ethyl]-1(2H)-phthalazinone
CID 762564
7,8-dimethoxy-2-phenylphthalazin-1(2H)-one
CID 715336
7,8-dimethoxy-2-(2-methylphenyl)phthalazin-1(2H)-one
CID 658340

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one?
The IUPAC name of 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one (CID 661377) is 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one.
What is the SMILES notation for 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one?
The canonical SMILES for 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one is COc1ccc2cnn(CCOc3ccccc3)c(=O)c2c1OC.
What is the InChIKey of 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one?
The InChIKey is HTOXAXZQDXYDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-15-9-8-13-12-19-20(18(21)16(13)17(15)23-2)10-11-24-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one?
7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one has a molecular weight of 326.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-(2-phenoxyethyl)phthalazin-1-one is sourced from PubChem (CID 661377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).