N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide

C16H16N4O — CID 110473747

IUPACN-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2n1)NCCn1cccn1
InChIInChI=1S/C16H16N4O/c21-16(17-9-11-20-10-3-8-18-20)12-14-7-6-13-4-1-2-5-15(13)19-14/h1-8,10H,9,11-12H2,(H,17,21)
InChIKeyCLZPHCCDOBOZIO-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.79
Rot. Bonds5

About N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide

N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide (PubChem CID 110473747) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide
PubChem CID110473747
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2n1)NCCn1cccn1
InChIInChI=1S/C16H16N4O/c21-16(17-9-11-20-10-3-8-18-20)12-14-7-6-13-4-1-2-5-15(13)19-14/h1-8,10H,9,11-12H2,(H,17,21)
InChIKeyCLZPHCCDOBOZIO-UHFFFAOYSA-N
XLogP1.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
N-(2-methylpyrazol-3-yl)-2-quinolin-2-ylacetamide
CID 110473734
2-naphthalen-2-yl-N-(2-quinolin-2-ylethyl)acetamide
CID 71940496
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
1-naphthalen-1-yl-3-(2-pyrazol-1-ylethyl)urea
CID 19589685
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
2-phenyl-N-(2-quinolin-2-ylethyl)pyrazole-3-carboxamide
CID 166219392
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
2-[2-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62535953

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide (CID 110473747) is N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide is O=C(Cc1ccc2ccccc2n1)NCCn1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide?
The InChIKey is CLZPHCCDOBOZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-16(17-9-11-20-10-3-8-18-20)12-14-7-6-13-4-1-2-5-15(13)19-14/h1-8,10H,9,11-12H2,(H,17,21).
What are the key properties of N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide?
N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide has a molecular weight of 280.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide is sourced from PubChem (CID 110473747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).