N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C17H15N3O3 — CID 17400514

IUPACN-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2O)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-20-17(23)12-7-3-2-6-11(12)14(19-20)10-16(22)18-13-8-4-5-9-15(13)21/h2-9,21H,10H2,1H3,(H,18,22)
InChIKeyCUXMXOSLUZJWSE-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.82
Rot. Bonds3

About N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 17400514) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID17400514
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2O)c2ccccc2c1=O
InChIInChI=1S/C17H15N3O3/c1-20-17(23)12-7-3-2-6-11(12)14(19-20)10-16(22)18-13-8-4-5-9-15(13)21/h2-9,21H,10H2,1H3,(H,18,22)
InChIKeyCUXMXOSLUZJWSE-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55699275
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 17400514) is N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccccc2O)c2ccccc2c1=O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is CUXMXOSLUZJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20-17(23)12-7-3-2-6-11(12)14(19-20)10-16(22)18-13-8-4-5-9-15(13)21/h2-9,21H,10H2,1H3,(H,18,22).
What are the key properties of N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 17400514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).