N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide

C14H11N3O2S — CID 15046298

IUPACN-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
SMILESCC(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C14H11N3O2S/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8H,1H3,(H,16,18)
InChIKeyBYIDVAWBRWEWJG-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.21
Rot. Bonds2

About N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide

N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide (PubChem CID 15046298) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
PubChem CID15046298
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide
SMILESCC(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C14H11N3O2S/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8H,1H3,(H,16,18)
InChIKeyBYIDVAWBRWEWJG-UHFFFAOYSA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide (CID 15046298) is N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide is CC(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide?
The InChIKey is BYIDVAWBRWEWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9(18)16-17-13(12-7-4-8-20-12)15-11-6-3-2-5-10(11)14(17)19/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide?
N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide has a molecular weight of 285.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-thiophen-2-ylquinazolin-3-yl)acetamide is sourced from PubChem (CID 15046298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).