N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C20H19N3O2 — CID 652384

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O2/c1-23-20(25)17-8-3-2-7-16(17)18(22-23)12-19(24)21-15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3,(H,21,24)
InChIKeyGDVXASCZXDZDES-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.60
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 652384) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID652384
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O
InChIInChI=1S/C20H19N3O2/c1-23-20(25)17-8-3-2-7-16(17)18(22-23)12-19(24)21-15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3,(H,21,24)
InChIKeyGDVXASCZXDZDES-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 652384) is N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is GDVXASCZXDZDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-20(25)17-8-3-2-7-16(17)18(22-23)12-19(24)21-15-10-9-13-5-4-6-14(13)11-15/h2-3,7-11H,4-6,12H2,1H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 652384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).