2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide

C19H23N5O — CID 75384041

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)NCCc2cccc3cccnc23)n1
InChIInChI=1S/C19H23N5O/c1-3-16-22-17(4-2)24(23-16)13-18(25)20-12-10-15-8-5-7-14-9-6-11-21-19(14)15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,20,25)
InChIKeyASWNBQMDCGGIFM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.31
Rot. Bonds7

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 75384041) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID75384041
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
SMILESCCc1nc(CC)n(CC(=O)NCCc2cccc3cccnc23)n1
InChIInChI=1S/C19H23N5O/c1-3-16-22-17(4-2)24(23-16)13-18(25)20-12-10-15-8-5-7-14-9-6-11-21-19(14)15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,20,25)
InChIKeyASWNBQMDCGGIFM-UHFFFAOYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 46434974
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide (CID 75384041) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide is CCc1nc(CC)n(CC(=O)NCCc2cccc3cccnc23)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is ASWNBQMDCGGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-16-22-17(4-2)24(23-16)13-18(25)20-12-10-15-8-5-7-14-9-6-11-21-19(14)15/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,20,25).
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 75384041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).