N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H17N3O4 — CID 3241256

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O
InChIInChI=1S/C19H17N3O4/c1-22-19(24)14-5-3-2-4-13(14)15(21-22)11-18(23)20-12-6-7-16-17(10-12)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyXYEVXHKHHRCOPM-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.89
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 3241256) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID3241256
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O
InChIInChI=1S/C19H17N3O4/c1-22-19(24)14-5-3-2-4-13(14)15(21-22)11-18(23)20-12-6-7-16-17(10-12)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyXYEVXHKHHRCOPM-UHFFFAOYSA-N
XLogP1.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 23640021
N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
CeMMEC13
CID 110694558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylbenzamide
CID 1088351
N-(1,3-benzodioxol-5-yl)-3-butyl-4-oxophthalazine-1-carboxamide
CID 2409944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 730783

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 3241256) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is XYEVXHKHHRCOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22-19(24)14-5-3-2-4-13(14)15(21-22)11-18(23)20-12-6-7-16-17(10-12)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 3241256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).