N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide

C18H16ClN3O4 — CID 39354909

IUPACN-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1OC
InChIInChI=1S/C18H16ClN3O4/c1-25-14-8-3-11-9-20-22(18(24)16(11)17(14)26-2)10-15(23)21-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyWMAICGBKGGTCHC-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.71
Rot. Bonds5

About N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide

N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide (PubChem CID 39354909) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
PubChem CID39354909
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1OC
InChIInChI=1S/C18H16ClN3O4/c1-25-14-8-3-11-9-20-22(18(24)16(11)17(14)26-2)10-15(23)21-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyWMAICGBKGGTCHC-UHFFFAOYSA-N
XLogP2.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 71705829
methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
CID 45490728
methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
CID 71710263
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 71701010
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 110204689
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 91822051
N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 71946737
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide (CID 39354909) is N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide is COc1ccc2cnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
The InChIKey is WMAICGBKGGTCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-25-14-8-3-11-9-20-22(18(24)16(11)17(14)26-2)10-15(23)21-13-6-4-12(19)5-7-13/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide?
N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide has a molecular weight of 373.80 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 39354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).