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

C17H23N3O3S — CID 3785919

IUPACN,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC(C)C
InChIInChI=1S/C17H23N3O3S/c1-5-19(6-2)15(21)11-24-17-18-14-10-8-7-9-13(14)16(22)20(17)23-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDOTSXBHSFXBLBF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.19
Rot. Bonds7

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

N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (PubChem CID 3785919) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
PubChem CID3785919
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC(C)C
InChIInChI=1S/C17H23N3O3S/c1-5-19(6-2)15(21)11-24-17-18-14-10-8-7-9-13(14)16(22)20(17)23-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDOTSXBHSFXBLBF-UHFFFAOYSA-N
XLogP2.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
N,N-diethyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432178
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1272963
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1071921
2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 8807535
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
N-cyclopropyl-4-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 4118053
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2529335
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide (CID 3785919) is N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC(C)C.
What is the InChIKey of N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
The InChIKey is DOTSXBHSFXBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-19(6-2)15(21)11-24-17-18-14-10-8-7-9-13(14)16(22)20(17)23-12(3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3785919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).