2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide

C17H15N5O2S — CID 46869743

IUPAC2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1sccc1-c1ncn[nH]1
InChIInChI=1S/C17H15N5O2S/c23-14(20-17-12(7-8-25-17)16-18-10-19-21-16)9-22-13-4-2-1-3-11(13)5-6-15(22)24/h1-4,7-8,10H,5-6,9H2,(H,20,23)(H,18,19,21)
InChIKeyDQIBFABSPRQMKZ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide

2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide (PubChem CID 46869743) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
PubChem CID46869743
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1sccc1-c1ncn[nH]1
InChIInChI=1S/C17H15N5O2S/c23-14(20-17-12(7-8-25-17)16-18-10-19-21-16)9-22-13-4-2-1-3-11(13)5-6-15(22)24/h1-4,7-8,10H,5-6,9H2,(H,20,23)(H,18,19,21)
InChIKeyDQIBFABSPRQMKZ-UHFFFAOYSA-N
XLogP2.45
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 46869882
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
CID 56661803
4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 68785057
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 136526702
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865580
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 56786514
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide (CID 46869743) is 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide is O=C(CN1C(=O)CCc2ccccc21)Nc1sccc1-c1ncn[nH]1.
What is the InChIKey of 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide?
The InChIKey is DQIBFABSPRQMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-14(20-17-12(7-8-25-17)16-18-10-19-21-16)9-22-13-4-2-1-3-11(13)5-6-15(22)24/h1-4,7-8,10H,5-6,9H2,(H,20,23)(H,18,19,21).
What are the key properties of 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide?
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 46869743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).