2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide

C26H21FN4O2 — CID 20918686

IUPAC2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1
InChIInChI=1S/C26H21FN4O2/c1-17-9-11-20(12-10-17)28-24(32)16-31-26(33)22-15-30(14-18-5-4-6-19(27)13-18)23-8-3-2-7-21(23)25(22)29-31/h2-13,15H,14,16H2,1H3,(H,28,32)
InChIKeyDENYVSUMXHIEAY-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.44
Rot. Bonds5

About 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide

2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 20918686) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID20918686
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC Name2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1
InChIInChI=1S/C26H21FN4O2/c1-17-9-11-20(12-10-17)28-24(32)16-31-26(33)22-15-30(14-18-5-4-6-19(27)13-18)23-8-3-2-7-21(23)25(22)29-31/h2-13,15H,14,16H2,1H3,(H,28,32)
InChIKeyDENYVSUMXHIEAY-UHFFFAOYSA-N
XLogP4.44
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 20918697
2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 20918755
8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 20918663
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
5-benzyl-2-pentylpyrazolo[4,3-c]quinolin-3-one
CID 12016990
N-(4-ethylphenyl)-2-[4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769046
ethyl 4-[[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetyl]amino]benzoate
CID 2157604
5-benzyl-2-(pyridin-4-ylmethyl)pyrazolo[4,3-c]quinolin-3-one
CID 118724594
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
N-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 1417632
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-[(4E)-4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 6519870

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide (CID 20918686) is 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc3c4ccccc4n(Cc4cccc(F)c4)cc-3c2=O)cc1.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is DENYVSUMXHIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-17-9-11-20(12-10-17)28-24(32)16-31-26(33)22-15-30(14-18-5-4-6-19(27)13-18)23-8-3-2-7-21(23)25(22)29-31/h2-13,15H,14,16H2,1H3,(H,28,32).
What are the key properties of 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide?
2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 440.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methyl]-3-oxopyrazolo[4,3-c]quinolin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 20918686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).