2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide

C18H22N4O2 — CID 75441927

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)Cc3cc(C)[nH]n3)ccc21
InChIInChI=1S/C18H22N4O2/c1-3-8-22-16-6-5-14(10-13(16)4-7-18(22)24)19-17(23)11-15-9-12(2)20-21-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyZUEAKDLMUGLCTK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.59
Rot. Bonds5

About 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide

2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide (PubChem CID 75441927) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
PubChem CID75441927
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide
SMILESCCCN1C(=O)CCc2cc(NC(=O)Cc3cc(C)[nH]n3)ccc21
InChIInChI=1S/C18H22N4O2/c1-3-8-22-16-6-5-14(10-13(16)4-7-18(22)24)19-17(23)11-15-9-12(2)20-21-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyZUEAKDLMUGLCTK-UHFFFAOYSA-N
XLogP2.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide (CID 75441927) is 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide is CCCN1C(=O)CCc2cc(NC(=O)Cc3cc(C)[nH]n3)ccc21.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide?
The InChIKey is ZUEAKDLMUGLCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-8-22-16-6-5-14(10-13(16)4-7-18(22)24)19-17(23)11-15-9-12(2)20-21-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide?
2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)acetamide is sourced from PubChem (CID 75441927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).