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

C16H19N3O4S — CID 24982854

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyRHRIXKXRVSLRSR-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.43
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 24982854) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID24982854
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3
InChIKeyRHRIXKXRVSLRSR-UHFFFAOYSA-N
XLogP0.43
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.43
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-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 24982854) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RHRIXKXRVSLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 0.43, 4 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-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 24982854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).