2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide

C19H14N4O2S — CID 121090934

IUPAC2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide
SMILESO=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H14N4O2S/c24-18(22-14-5-6-15-13(9-14)3-1-7-20-15)11-23-12-21-16(10-19(23)25)17-4-2-8-26-17/h1-10,12H,11H2,(H,22,24)
InChIKeyWESRGUBNPPQIAH-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.16
Rot. Bonds4

About 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide

2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide (PubChem CID 121090934) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide
PubChem CID121090934
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide
SMILESO=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H14N4O2S/c24-18(22-14-5-6-15-13(9-14)3-1-7-20-15)11-23-12-21-16(10-19(23)25)17-4-2-8-26-17/h1-10,12H,11H2,(H,22,24)
InChIKeyWESRGUBNPPQIAH-UHFFFAOYSA-N
XLogP3.16
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
N-(3,5-dimethylphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090808
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-(2-methylquinolin-5-yl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090936
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]ethyl]benzamide
CID 121090941
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090879
N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053064

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide?
The IUPAC name of 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide (CID 121090934) is 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide is O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide?
The InChIKey is WESRGUBNPPQIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c24-18(22-14-5-6-15-13(9-14)3-1-7-20-15)11-23-12-21-16(10-19(23)25)17-4-2-8-26-17/h1-10,12H,11H2,(H,22,24).
What are the key properties of 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide?
2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide has a molecular weight of 362.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)-N-quinolin-6-ylacetamide is sourced from PubChem (CID 121090934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).