2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide

C17H19N3O2S — CID 135473914

IUPAC2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
SMILESCCC1(C)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21
InChIInChI=1S/C17H19N3O2S/c1-3-17(2)8-10-6-4-5-7-11(10)14-13(17)15(22)20-16(19-14)23-9-12(18)21/h4-7H,3,8-9H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyJULWFSFLEGNMRY-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.24
Rot. Bonds4

About 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide

2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135473914) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135473914
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide
SMILESCCC1(C)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21
InChIInChI=1S/C17H19N3O2S/c1-3-17(2)8-10-6-4-5-7-11(10)14-13(17)15(22)20-16(19-14)23-9-12(18)21/h4-7H,3,8-9H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyJULWFSFLEGNMRY-UHFFFAOYSA-N
XLogP2.24
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide (CID 135473914) is 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide is CCC1(C)Cc2ccccc2-c2nc(SCC(N)=O)[nH]c(=O)c21.
What is the InChIKey of 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is JULWFSFLEGNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-17(2)8-10-6-4-5-7-11(10)14-13(17)15(22)20-16(19-14)23-9-12(18)21/h4-7H,3,8-9H2,1-2H3,(H2,18,21)(H,19,20,22).
What are the key properties of 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide?
2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135473914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).