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

C17H14BrN5O2S — CID 46869882

IUPACN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1ncn[nH]1
InChIInChI=1S/C17H14BrN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)
InChIKeyJCKBTQZTGPJTII-UHFFFAOYSA-N
MW432.30 g/mol
LogP3.21
Rot. Bonds4

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

N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide (PubChem CID 46869882) has the molecular formula C17H14BrN5O2S and a molecular weight of 432.30 g/mol. Its IUPAC name is N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
PubChem CID46869882
Molecular FormulaC17H14BrN5O2S
Molecular Weight432.30 g/mol
Exact Mass431.01
IUPAC NameN-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1ncn[nH]1
InChIInChI=1S/C17H14BrN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)
InChIKeyJCKBTQZTGPJTII-UHFFFAOYSA-N
XLogP3.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide 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-[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
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
CID 46869743
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-methylidene-3,4-dihydro-1,5-naphthyridin-1-yl)acetamide
CID 70226839
4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 68785057
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 136526702
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 22576576
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(5-fluoro-2-oxo-1H-quinolin-3-yl)acetamide
CID 90742857
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865580
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 62018999

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The IUPAC name of 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) is N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide.
What is the SMILES notation for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The canonical SMILES for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1ncn[nH]1.
What is the InChIKey of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
The InChIKey is JCKBTQZTGPJTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22).
What are the key properties of N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide?
N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide has a molecular weight of 432.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide is sourced from PubChem (CID 46869882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).