2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride

C14H12ClN3O2S — CID 163331219

IUPAC2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride
SMILESCl.O=C1CSC(CC(=O)Nc2cccc3cccnc23)=N1
InChIInChI=1S/C14H11N3O2S.ClH/c18-11(7-13-17-12(19)8-20-13)16-10-5-1-3-9-4-2-6-15-14(9)10;/h1-6H,7-8H2,(H,16,18);1H
InChIKeySMXMWDWOPNLCAZ-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride

2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride (PubChem CID 163331219) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride
PubChem CID163331219
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride
SMILESCl.O=C1CSC(CC(=O)Nc2cccc3cccnc23)=N1
InChIInChI=1S/C14H11N3O2S.ClH/c18-11(7-13-17-12(19)8-20-13)16-10-5-1-3-9-4-2-6-15-14(9)10;/h1-6H,7-8H2,(H,16,18);1H
InChIKeySMXMWDWOPNLCAZ-UHFFFAOYSA-N
XLogP2.66
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-pyren-4-yl-N-quinolin-8-ylacetamide
CID 52934707
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
N-quinolin-8-ylhex-3-enamide
CID 151663814
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-quinolin-8-ylacetamide
CID 8850099

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride?
The IUPAC name of 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride (CID 163331219) is 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride is Cl.O=C1CSC(CC(=O)Nc2cccc3cccnc23)=N1.
What is the InChIKey of 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride?
The InChIKey is SMXMWDWOPNLCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S.ClH/c18-11(7-13-17-12(19)8-20-13)16-10-5-1-3-9-4-2-6-15-14(9)10;/h1-6H,7-8H2,(H,16,18);1H.
What are the key properties of 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride?
2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride has a molecular weight of 321.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazol-2-yl)-N-quinolin-8-ylacetamide;hydrochloride is sourced from PubChem (CID 163331219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).