N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

C15H17N3O4S — CID 24979098

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O4S/c1-17(11-6-7-23(21,22)9-11)14(19)8-18-10-16-13-5-3-2-4-12(13)15(18)20/h2-5,10-11H,6-9H2,1H3
InChIKeyZEJXWGQXTCNGQO-UHFFFAOYSA-N
MW335.38 g/mol
LogP0.04
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 24979098) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID24979098
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O4S/c1-17(11-6-7-23(21,22)9-11)14(19)8-18-10-16-13-5-3-2-4-12(13)15(18)20/h2-5,10-11H,6-9H2,1H3
InChIKeyZEJXWGQXTCNGQO-UHFFFAOYSA-N
XLogP0.04
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 24979098) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is CN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZEJXWGQXTCNGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-17(11-6-7-23(21,22)9-11)14(19)8-18-10-16-13-5-3-2-4-12(13)15(18)20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 335.38 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 24979098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).