N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

C15H17N5O2 — CID 112532191

IUPACN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C15H17N5O2/c1-11(21)16-14-9-19(18-17-14)10-15(22)20-8-4-6-12-5-2-3-7-13(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,16,21)
InChIKeyMVDNZQHDYGKEOW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.22
Rot. Bonds3

About N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112532191) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112532191
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C15H17N5O2/c1-11(21)16-14-9-19(18-17-14)10-15(22)20-8-4-6-12-5-2-3-7-13(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,16,21)
InChIKeyMVDNZQHDYGKEOW-UHFFFAOYSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112532196
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 80736020
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
2-[4-(1-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106228324
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
N-(3-acetamidophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953400
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
2-[4-(3-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106221203
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112532191) is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cn(CC(=O)N2CCCc3ccccc32)nn1.
What is the InChIKey of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is MVDNZQHDYGKEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11(21)16-14-9-19(18-17-14)10-15(22)20-8-4-6-12-5-2-3-7-13(12)20/h2-3,5,7,9H,4,6,8,10H2,1H3,(H,16,21).
What are the key properties of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112532191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).