2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H12BrN3O2S — CID 22576576

IUPAC2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)Nc1nccs1
InChIInChI=1S/C14H12BrN3O2S/c15-10-2-3-11-9(7-10)1-4-13(20)18(11)8-12(19)17-14-16-5-6-21-14/h2-3,5-7H,1,4,8H2,(H,16,17,19)
InChIKeyDGUIQIRDWVLJEY-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.82
Rot. Bonds3

About 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 22576576) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID22576576
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)CCc2cc(Br)ccc21)Nc1nccs1
InChIInChI=1S/C14H12BrN3O2S/c15-10-2-3-11-9(7-10)1-4-13(20)18(11)8-12(19)17-14-16-5-6-21-14/h2-3,5-7H,1,4,8H2,(H,16,17,19)
InChIKeyDGUIQIRDWVLJEY-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 22576588
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 22576647
2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3420795
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 22576597
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 2853048
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
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-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17450343
2-(4-bromo-2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 833175

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 22576576) is 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)CCc2cc(Br)ccc21)Nc1nccs1.
What is the InChIKey of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DGUIQIRDWVLJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c15-10-2-3-11-9(7-10)1-4-13(20)18(11)8-12(19)17-14-16-5-6-21-14/h2-3,5-7H,1,4,8H2,(H,16,17,19).
What are the key properties of 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 366.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22576576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).