N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C23H26N4O2 — CID 38283424

IUPACN-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2N2CCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H26N4O2/c1-17-18-10-4-5-11-19(18)23(29)27(25-17)16-22(28)24-20-12-6-7-13-21(20)26-14-8-2-3-9-15-26/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,24,28)
InChIKeyWZHMUNMRRRUORQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 38283424) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID38283424
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccccc2N2CCCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C23H26N4O2/c1-17-18-10-4-5-11-19(18)23(29)27(25-17)16-22(28)24-20-12-6-7-13-21(20)26-14-8-2-3-9-15-26/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,24,28)
InChIKeyWZHMUNMRRRUORQ-UHFFFAOYSA-N
XLogP3.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 24652767
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
2-(4-oxocinnolin-1-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 134013002
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55749931
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 38283424) is N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccccc2N2CCCCCC2)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is WZHMUNMRRRUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-18-10-4-5-11-19(18)23(29)27(25-17)16-22(28)24-20-12-6-7-13-21(20)26-14-8-2-3-9-15-26/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,24,28).
What are the key properties of N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 38283424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).