2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide

C13H15N3O3S — CID 938997

IUPAC2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)On1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O3S/c1-8(2)19-16-12(18)9-5-3-4-6-10(9)15-13(16)20-7-11(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeyGBNRXMLFJIBQNN-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.81
Rot. Bonds5

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

2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (PubChem CID 938997) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
PubChem CID938997
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCC(C)On1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C13H15N3O3S/c1-8(2)19-16-12(18)9-5-3-4-6-10(9)15-13(16)20-7-11(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17)
InChIKeyGBNRXMLFJIBQNN-UHFFFAOYSA-N
XLogP0.81
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 3785919
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 680931
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4004415
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363
2-[3-(3-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 17401880
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234
2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2609797
2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2680991
methyl 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanylacetate
CID 17415513

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (CID 938997) is 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is CC(C)On1c(SCC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The InChIKey is GBNRXMLFJIBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(2)19-16-12(18)9-5-3-4-6-10(9)15-13(16)20-7-11(14)17/h3-6,8H,7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide has a molecular weight of 293.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 938997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).