2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide

C20H16N4O2 — CID 646119

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
SMILESCn1nc(CC(=O)Nc2cccc3ncccc23)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O2/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)12-19(25)22-17-10-4-9-16-15(17)8-5-11-21-16/h2-11H,12H2,1H3,(H,22,25)
InChIKeyZAIHYWSQQUGZQZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide (PubChem CID 646119) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
PubChem CID646119
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
SMILESCn1nc(CC(=O)Nc2cccc3ncccc23)c2ccccc2c1=O
InChIInChI=1S/C20H16N4O2/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)12-19(25)22-17-10-4-9-16-15(17)8-5-11-21-16/h2-11H,12H2,1H3,(H,22,25)
InChIKeyZAIHYWSQQUGZQZ-UHFFFAOYSA-N
XLogP2.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55699275
3,3-dimethyl-N-quinolin-5-ylbutanamide
CID 24654624
3-butyl-4-oxo-N-quinolin-5-ylphthalazine-1-carboxamide
CID 3570049

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide (CID 646119) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide is Cn1nc(CC(=O)Nc2cccc3ncccc23)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide?
The InChIKey is ZAIHYWSQQUGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-20(26)14-7-3-2-6-13(14)18(23-24)12-19(25)22-17-10-4-9-16-15(17)8-5-11-21-16/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide has a molecular weight of 344.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide is sourced from PubChem (CID 646119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).