2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide

C18H20N4O3 — CID 90649664

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NC2CC(=O)Nc3ccccc32)c1C
InChIInChI=1S/C18H20N4O3/c1-10-18(12(3)23)11(2)22(21-10)9-17(25)20-15-8-16(24)19-14-7-5-4-6-13(14)15/h4-7,15H,8-9H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyZWTAQTWHZQINCG-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.90
Rot. Bonds4

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide (PubChem CID 90649664) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
PubChem CID90649664
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NC2CC(=O)Nc3ccccc32)c1C
InChIInChI=1S/C18H20N4O3/c1-10-18(12(3)23)11(2)22(21-10)9-17(25)20-15-8-16(24)19-14-7-5-4-6-13(14)15/h4-7,15H,8-9H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyZWTAQTWHZQINCG-UHFFFAOYSA-N
XLogP1.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 99975390
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45252270
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
CID 126449547
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 70712879
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
CID 121499795
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111658872
(3R,4S)-3-[[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]amino]-4-cyclopropyl-N,N-dimethylpyrrolidine-1-carboxamide
CID 72881056
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
CID 118794401
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 74239554
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]acetamide
CID 91779408

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide (CID 90649664) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide is CC(=O)c1c(C)nn(CC(=O)NC2CC(=O)Nc3ccccc32)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The InChIKey is ZWTAQTWHZQINCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-18(12(3)23)11(2)22(21-10)9-17(25)20-15-8-16(24)19-14-7-5-4-6-13(14)15/h4-7,15H,8-9H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetamide is sourced from PubChem (CID 90649664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).