N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C23H26N4O3S — CID 4064442

IUPACN-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCN1CCOCC1)NCc1ccccc1
InChIInChI=1S/C23H26N4O3S/c28-21(24-16-18-6-2-1-3-7-18)17-31-23-25-20-9-5-4-8-19(20)22(29)27(23)11-10-26-12-14-30-15-13-26/h1-9H,10-17H2,(H,24,28)
InChIKeyVLXWCMLWRJAGLT-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.14
Rot. Bonds8

About N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4064442) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4064442
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1CCN1CCOCC1)NCc1ccccc1
InChIInChI=1S/C23H26N4O3S/c28-21(24-16-18-6-2-1-3-7-18)17-31-23-25-20-9-5-4-8-19(20)22(29)27(23)11-10-26-12-14-30-15-13-26/h1-9H,10-17H2,(H,24,28)
InChIKeyVLXWCMLWRJAGLT-UHFFFAOYSA-N
XLogP2.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2608290
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087616
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
N-(1,3-benzodioxol-5-yl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2125175
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46668800
N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42982505
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2161219
N-butyl-2-[3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5055398
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 29154591
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4064442) is N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1CCN1CCOCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is VLXWCMLWRJAGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-21(24-16-18-6-2-1-3-7-18)17-31-23-25-20-9-5-4-8-19(20)22(29)27(23)11-10-26-12-14-30-15-13-26/h1-9H,10-17H2,(H,24,28).
What are the key properties of N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 438.55 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4064442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).