8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one

C17H16N2O3 — CID 159088215

IUPAC8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
SMILESCOc1ccc(-n2ncc3cc(C)cc(OC)c3c2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-11-8-12-10-18-19(13-4-6-14(21-2)7-5-13)17(20)16(12)15(9-11)22-3/h4-10H,1-3H3
InChIKeyHPUWCXUHWUMMOR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.71
Rot. Bonds3

About 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one

8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one (PubChem CID 159088215) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one.

Molecular Properties

Compound Name8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
PubChem CID159088215
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one
SMILESCOc1ccc(-n2ncc3cc(C)cc(OC)c3c2=O)cc1
InChIInChI=1S/C17H16N2O3/c1-11-8-12-10-18-19(13-4-6-14(21-2)7-5-13)17(20)16(12)15(9-11)22-3/h4-10H,1-3H3
InChIKeyHPUWCXUHWUMMOR-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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Related Compounds

3-(4-methoxyphenyl)-5,7-dimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
CID 172852843
5-chloro-4-(4-methoxyphenoxy)-2-(4-methylphenyl)pyridazin-3-one
CID 1479652
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
5-ethyl-8-methoxy-3-(4-methoxyphenyl)pyridazino[4,5-b]indol-4-one
CID 4911333
3-(4-fluorophenyl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indol-4-one
CID 135472162
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
2-(3-chlorophenyl)-7,8-dimethoxyphthalazin-1-one
CID 17466640
6,8-dihydroxy-2-(4-hydroxyphenyl)phthalazin-1-one
CID 141488259
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 110512658

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one?
The IUPAC name of 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one (CID 159088215) is 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one.
What is the SMILES notation for 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one?
The canonical SMILES for 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one is COc1ccc(-n2ncc3cc(C)cc(OC)c3c2=O)cc1.
What is the InChIKey of 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one?
The InChIKey is HPUWCXUHWUMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-8-12-10-18-19(13-4-6-14(21-2)7-5-13)17(20)16(12)15(9-11)22-3/h4-10H,1-3H3.
What are the key properties of 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one?
8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-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 8-methoxy-2-(4-methoxyphenyl)-6-methylphthalazin-1-one is sourced from PubChem (CID 159088215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).