N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H16N4O2 — CID 56761805

IUPACN-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O
InChIInChI=1S/C19H16N4O2/c1-23-19(25)15-5-3-2-4-14(15)17(22-23)11-18(24)21-13-7-6-12-8-9-20-16(12)10-13/h2-10,20H,11H2,1H3,(H,21,24)
InChIKeyBRFKTOHVSXMUGN-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.60
Rot. Bonds3

About N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 56761805) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID56761805
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O
InChIInChI=1S/C19H16N4O2/c1-23-19(25)15-5-3-2-4-14(15)17(22-23)11-18(24)21-13-7-6-12-8-9-20-16(12)10-13/h2-10,20H,11H2,1H3,(H,21,24)
InChIKeyBRFKTOHVSXMUGN-UHFFFAOYSA-N
XLogP2.60
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 56761805) is N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O.
What is the InChIKey of N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is BRFKTOHVSXMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23-19(25)15-5-3-2-4-14(15)17(22-23)11-18(24)21-13-7-6-12-8-9-20-16(12)10-13/h2-10,20H,11H2,1H3,(H,21,24).
What are the key properties of N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 56761805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).