2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide

C26H21FN4O2 — CID 20952296

IUPAC2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C26H21FN4O2/c1-2-33-20-13-7-17(8-14-20)25-22-15-28-23-6-4-3-5-21(23)26(22)31(30-25)16-24(32)29-19-11-9-18(27)10-12-19/h3-15H,2,16H2,1H3,(H,29,32)
InChIKeyOURGFXIZIYNMEL-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.43
Rot. Bonds6

About 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide

2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 20952296) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID20952296
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C26H21FN4O2/c1-2-33-20-13-7-17(8-14-20)25-22-15-28-23-6-4-3-5-21(23)26(22)31(30-25)16-24(32)29-19-11-9-18(27)10-12-19/h3-15H,2,16H2,1H3,(H,29,32)
InChIKeyOURGFXIZIYNMEL-UHFFFAOYSA-N
XLogP5.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-(3-phenylpyrazolo[4,5-c]quinolin-1-yl)acetamide
CID 20952229
N-(4-methylphenyl)-2-(8-methyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952230
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
CID 20952211
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952325
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
N-cyclopentyl-2-[3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952341
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53002388

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide (CID 20952296) is 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide is CCOc1ccc(-c2nn(CC(=O)Nc3ccc(F)cc3)c3c2cnc2ccccc23)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OURGFXIZIYNMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-2-33-20-13-7-17(8-14-20)25-22-15-28-23-6-4-3-5-21(23)26(22)31(30-25)16-24(32)29-19-11-9-18(27)10-12-19/h3-15H,2,16H2,1H3,(H,29,32).
What are the key properties of 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20952296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).