2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide

C26H22N4O — CID 20952211

IUPAC2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2c1
InChIInChI=1S/C26H22N4O/c1-2-18-13-14-23-21(15-18)26-22(16-27-23)25(19-9-5-3-6-10-19)29-30(26)17-24(31)28-20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyJSRZPEZLXDRHJI-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.45
Rot. Bonds5

About 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide

2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide (PubChem CID 20952211) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
PubChem CID20952211
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
SMILESCCc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2c1
InChIInChI=1S/C26H22N4O/c1-2-18-13-14-23-21(15-18)26-22(16-27-23)25(19-9-5-3-6-10-19)29-30(26)17-24(31)28-20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,28,31)
InChIKeyJSRZPEZLXDRHJI-UHFFFAOYSA-N
XLogP5.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952230
N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 20952229
1-(4-chlorophenyl)-8-ethyl-3-phenylpyrazolo[4,3-c]quinoline
CID 20852477
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 20952296
N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952325
N-(4-ethylphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)acetamide
CID 23608927
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-cyclopentyl-2-[3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952341
N-(4-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048275
N-(3-ethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048273
ethyl 1-(4-methylphenyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
CID 20852512

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide (CID 20952211) is 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide is CCc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2c1.
What is the InChIKey of 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide?
The InChIKey is JSRZPEZLXDRHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-18-13-14-23-21(15-18)26-22(16-27-23)25(19-9-5-3-6-10-19)29-30(26)17-24(31)28-20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,28,31).
What are the key properties of 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide?
2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide has a molecular weight of 406.49 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 20952211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).