2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

C19H19N3O3S — CID 1071918

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3S/c1-3-22-18(24)15-9-4-5-10-16(15)21-19(22)26-12-17(23)20-13-7-6-8-14(11-13)25-2/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyFOXGXWAWPUEQBG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.16
Rot. Bonds6

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

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 1071918) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID1071918
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C19H19N3O3S/c1-3-22-18(24)15-9-4-5-10-16(15)21-19(22)26-12-17(23)20-13-7-6-8-14(11-13)25-2/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyFOXGXWAWPUEQBG-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 1071918) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is FOXGXWAWPUEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-22-18(24)15-9-4-5-10-16(15)21-19(22)26-12-17(23)20-13-7-6-8-14(11-13)25-2/h4-11H,3,12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 1071918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).