N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide

C15H19N3O3S — CID 947562

IUPACN,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)On1c(SCC(=O)N(C)C)nc2ccccc2c1=O
InChIInChI=1S/C15H19N3O3S/c1-10(2)21-18-14(20)11-7-5-6-8-12(11)16-15(18)22-9-13(19)17(3)4/h5-8,10H,9H2,1-4H3
InChIKeyVPJYVVKCUKHXLQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.41
Rot. Bonds5

About N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide

N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (PubChem CID 947562) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
PubChem CID947562
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)On1c(SCC(=O)N(C)C)nc2ccccc2c1=O
InChIInChI=1S/C15H19N3O3S/c1-10(2)21-18-14(20)11-7-5-6-8-12(11)16-15(18)22-9-13(19)17(3)4/h5-8,10H,9H2,1-4H3
InChIKeyVPJYVVKCUKHXLQ-UHFFFAOYSA-N
XLogP1.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (CID 947562) is N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is CC(C)On1c(SCC(=O)N(C)C)nc2ccccc2c1=O.
What is the InChIKey of N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The InChIKey is VPJYVVKCUKHXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(2)21-18-14(20)11-7-5-6-8-12(11)16-15(18)22-9-13(19)17(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 947562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).