2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

C16H15N3O2S — CID 17432997

IUPAC2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-15(17-8-7-12-4-3-9-22-12)10-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20)
InChIKeyKQHQDHORKUZPRI-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide

2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 17432997) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID17432997
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCCc1cccs1
InChIInChI=1S/C16H15N3O2S/c20-15(17-8-7-12-4-3-9-22-12)10-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20)
InChIKeyKQHQDHORKUZPRI-UHFFFAOYSA-N
XLogP1.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121169618
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7886622
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 20932054
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide (CID 17432997) is 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NCCc1cccs1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is KQHQDHORKUZPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-15(17-8-7-12-4-3-9-22-12)10-19-11-18-14-6-2-1-5-13(14)16(19)21/h1-6,9,11H,7-8,10H2,(H,17,20).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide?
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 17432997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).