N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide

C15H19N3O3S — CID 664383

IUPACN,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC
InChIInChI=1S/C15H19N3O3S/c1-4-17(5-2)13(19)10-22-15-16-12-9-7-6-8-11(12)14(20)18(15)21-3/h6-9H,4-5,10H2,1-3H3
InChIKeyNCFNBHAYTAMZCY-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.42
Rot. Bonds6

About N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide

N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 664383) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID664383
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC
InChIInChI=1S/C15H19N3O3S/c1-4-17(5-2)13(19)10-22-15-16-12-9-7-6-8-11(12)14(20)18(15)21-3/h6-9H,4-5,10H2,1-3H3
InChIKeyNCFNBHAYTAMZCY-UHFFFAOYSA-N
XLogP1.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
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
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
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363
methyl 2-[2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]oxyacetate
CID 661998
2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
CID 936945
N-cyclopropyl-4-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 4118053
3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
CID 938390
2-(4-oxo-3-propan-2-yloxyquinazolin-2-yl)sulfanylacetamide
CID 938997
2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 8807535

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 664383) is N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC.
What is the InChIKey of N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is NCFNBHAYTAMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-17(5-2)13(19)10-22-15-16-12-9-7-6-8-11(12)14(20)18(15)21-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 664383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).