3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide

C19H19N3O2S — CID 23832964

IUPAC3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCCn1c(SCCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O2S/c1-2-22-18(24)15-10-6-7-11-16(15)21-19(22)25-13-12-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChIKeyJKSJWJQMMCDQGY-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.54
Rot. Bonds6

About 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide

3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 23832964) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID23832964
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCCn1c(SCCC(=O)Nc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O2S/c1-2-22-18(24)15-10-6-7-11-16(15)21-19(22)25-13-12-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23)
InChIKeyJKSJWJQMMCDQGY-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589494
N-(4-bromophenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23745961
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide
CID 23745986
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 163408939
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7858126
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
N-(4-ethoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23861407
2-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid
CID 23101030
2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 6489117
N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide (CID 23832964) is 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide is CCn1c(SCCC(=O)Nc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is JKSJWJQMMCDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-22-18(24)15-10-6-7-11-16(15)21-19(22)25-13-12-17(23)20-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,23).
What are the key properties of 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide?
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 23832964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).