2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C19H12F4N4O2 — CID 53141723

IUPAC2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1[nH]c2c(cnc3ccc(F)cc32)c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N4O2/c20-11-4-5-15-13(7-11)17-14(8-24-15)18(29)27(26-17)9-16(28)25-12-3-1-2-10(6-12)19(21,22)23/h1-8,26H,9H2,(H,25,28)
InChIKeyZGRLJMABNGSUBG-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.67
Rot. Bonds3

About 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53141723) has the molecular formula C19H12F4N4O2 and a molecular weight of 404.32 g/mol. Its IUPAC name is 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID53141723
Molecular FormulaC19H12F4N4O2
Molecular Weight404.32 g/mol
Exact Mass404.09
IUPAC Name2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1[nH]c2c(cnc3ccc(F)cc32)c1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F4N4O2/c20-11-4-5-15-13(7-11)17-14(8-24-15)18(29)27(26-17)9-16(28)25-12-3-1-2-10(6-12)19(21,22)23/h1-8,26H,9H2,(H,25,28)
InChIKeyZGRLJMABNGSUBG-UHFFFAOYSA-N
XLogP3.67
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide
CID 53141757
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063668
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20908548
2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872
3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55886811
CID 89006052
CID 89006052
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 58189277

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 53141723) is 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1[nH]c2c(cnc3ccc(F)cc32)c1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZGRLJMABNGSUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O2/c20-11-4-5-15-13(7-11)17-14(8-24-15)18(29)27(26-17)9-16(28)25-12-3-1-2-10(6-12)19(21,22)23/h1-8,26H,9H2,(H,25,28).
What are the key properties of 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).