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

C16H19N5O2 — CID 112532196

IUPACN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C16H19N5O2/c1-2-15(22)17-14-10-20(19-18-14)11-16(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,22)
InChIKeyUWALDKAPQYXMFQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds4

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

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112532196) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112532196
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CCCc3ccccc32)nn1
InChIInChI=1S/C16H19N5O2/c1-2-15(22)17-14-10-20(19-18-14)11-16(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,22)
InChIKeyUWALDKAPQYXMFQ-UHFFFAOYSA-N
XLogP1.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
CID 112532191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1-hydroxyethyl)triazol-1-yl]ethanone
CID 80736020
2-[4-(1-aminopropyl)triazol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 106228324
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059098
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-fluorophenyl)pyrazol-1-yl]ethanone
CID 71801680
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773132
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (CID 112532196) is N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is CCC(=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]propanamide?
The InChIKey is UWALDKAPQYXMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-15(22)17-14-10-20(19-18-14)11-16(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,22).
What are the key properties of N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 313.36 g/mol, XLogP of 1.61, 4 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]propanamide is sourced from PubChem (CID 112532196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).