2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

C20H28N4O3S — CID 46668800

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H28N4O3S/c1-4-24-18(26)15-7-5-6-8-16(15)22-19(24)28-13-17(25)21-14-20(2,3)23-9-11-27-12-10-23/h5-8H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyIRBFGFIWWPSJIZ-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.74
Rot. Bonds7

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 46668800) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID46668800
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H28N4O3S/c1-4-24-18(26)15-7-5-6-8-16(15)22-19(24)28-13-17(25)21-14-20(2,3)23-9-11-27-12-10-23/h5-8H,4,9-14H2,1-3H3,(H,21,25)
InChIKeyIRBFGFIWWPSJIZ-UHFFFAOYSA-N
XLogP1.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide with MolForge

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 34380670
N-(2-methyl-2-morpholin-4-ylpropyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 34371592
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37053168
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 34933118
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7559078
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
N-(2,6-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1143660
3-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylbenzo[g]quinazolin-4-one
CID 8674821
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 8674945
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 7875972

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 46668800) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is IRBFGFIWWPSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-4-24-18(26)15-7-5-6-8-16(15)22-19(24)28-13-17(25)21-14-20(2,3)23-9-11-27-12-10-23/h5-8H,4,9-14H2,1-3H3,(H,21,25).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 404.54 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46668800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).