N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide

C23H23FN4O2 — CID 56594892

IUPACN,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-4-26(5-2)20(29)14-27-22-21(15(3)18-8-6-7-9-19(18)25-22)23(30)28(27)17-12-10-16(24)11-13-17/h6-13H,4-5,14H2,1-3H3
InChIKeyZODLFFQRYVOUGH-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.66
Rot. Bonds5

About N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide

N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide (PubChem CID 56594892) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide
PubChem CID56594892
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide
SMILESCCN(CC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-4-26(5-2)20(29)14-27-22-21(15(3)18-8-6-7-9-19(18)25-22)23(30)28(27)17-12-10-16(24)11-13-17/h6-13H,4-5,14H2,1-3H3
InChIKeyZODLFFQRYVOUGH-UHFFFAOYSA-N
XLogP3.66
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide (CID 56594892) is N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide is CCN(CC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide?
The InChIKey is ZODLFFQRYVOUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-4-26(5-2)20(29)14-27-22-21(15(3)18-8-6-7-9-19(18)25-22)23(30)28(27)17-12-10-16(24)11-13-17/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide?
N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide has a molecular weight of 406.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-fluorophenyl)-4-methyl-3-oxopyrazolo[3,4-b]quinolin-1-yl]acetamide is sourced from PubChem (CID 56594892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).