N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide

C26H21FN4O2 — CID 20952325

IUPACN-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4F)c3c2c1
InChIInChI=1S/C26H21FN4O2/c1-16-7-9-17(10-8-16)25-20-14-28-22-12-11-18(33-2)13-19(22)26(20)31(30-25)15-24(32)29-23-6-4-3-5-21(23)27/h3-14H,15H2,1-2H3,(H,29,32)
InChIKeyJFWCROMDHLVMSH-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.35
Rot. Bonds5

About N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide

N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide (PubChem CID 20952325) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
PubChem CID20952325
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide
SMILESCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4F)c3c2c1
InChIInChI=1S/C26H21FN4O2/c1-16-7-9-17(10-8-16)25-20-14-28-22-12-11-18(33-2)13-19(22)26(20)31(30-25)15-24(32)29-23-6-4-3-5-21(23)27/h3-14H,15H2,1-2H3,(H,29,32)
InChIKeyJFWCROMDHLVMSH-UHFFFAOYSA-N
XLogP5.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
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
N-cyclopentyl-2-[3-(4-fluorophenyl)-8-methylpyrazolo[4,3-c]quinolin-1-yl]acetamide
CID 20952341
2-[3-(4-ethoxyphenyl)pyrazolo[4,5-c]quinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 20952296
2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)-N-phenylacetamide
CID 20952211
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
8-methoxy-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazolo[4,3-c]quinoline
CID 46251420
N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide (CID 20952325) is N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide is COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4F)c3c2c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide?
The InChIKey is JFWCROMDHLVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-16-7-9-17(10-8-16)25-20-14-28-22-12-11-18(33-2)13-19(22)26(20)31(30-25)15-24(32)29-23-6-4-3-5-21(23)27/h3-14H,15H2,1-2H3,(H,29,32).
What are the key properties of N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide has a molecular weight of 440.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinolin-1-yl]acetamide is sourced from PubChem (CID 20952325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).