2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide

C16H21N3O2S — CID 2434718

IUPAC2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C16H21N3O2S/c1-3-9-17-14(20)11-22-16-18-13-8-6-5-7-12(13)15(21)19(16)10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyDADLZPWOSKDEHU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.42
Rot. Bonds7

About 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide

2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide (PubChem CID 2434718) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
PubChem CID2434718
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C16H21N3O2S/c1-3-9-17-14(20)11-22-16-18-13-8-6-5-7-12(13)15(21)19(16)10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyDADLZPWOSKDEHU-UHFFFAOYSA-N
XLogP2.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide (CID 2434718) is 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide?
The InChIKey is DADLZPWOSKDEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-9-17-14(20)11-22-16-18-13-8-6-5-7-12(13)15(21)19(16)10-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide?
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 2434718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).