2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide

C23H24N4O5 — CID 75490000

IUPAC2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
SMILESCOCCn1ccc2c(NC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)cccc21
InChIInChI=1S/C23H24N4O5/c1-30-12-11-26-10-9-16-17(5-4-6-18(16)26)25-20(28)14-27-23(29)21-15(13-24-27)7-8-19(31-2)22(21)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDLJOCIOHPJCKBH-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.65
Rot. Bonds8

About 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide (PubChem CID 75490000) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
PubChem CID75490000
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
SMILESCOCCn1ccc2c(NC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)cccc21
InChIInChI=1S/C23H24N4O5/c1-30-12-11-26-10-9-16-17(5-4-6-18(16)26)25-20(28)14-27-23(29)21-15(13-24-27)7-8-19(31-2)22(21)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDLJOCIOHPJCKBH-UHFFFAOYSA-N
XLogP2.65
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 71705829
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
N-[1-(3-methylbutyl)indol-4-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 56762017
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 39354909
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
N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 71946737
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639274
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-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 71701010
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide (CID 75490000) is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide is COCCn1ccc2c(NC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)cccc21.
What is the InChIKey of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The InChIKey is DLJOCIOHPJCKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-12-11-26-10-9-16-17(5-4-6-18(16)26)25-20(28)14-27-23(29)21-15(13-24-27)7-8-19(31-2)22(21)32-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide is sourced from PubChem (CID 75490000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).