N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C16H21N3O2S — CID 6489112

IUPACN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H21N3O2S/c1-5-19(6-2)14(20)11(3)22-16-17-13-10-8-7-9-12(13)15(21)18(16)4/h7-11H,5-6H2,1-4H3
InChIKeyAKWBFUIYQCSBSI-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.28
Rot. Bonds5

About N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 6489112) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID6489112
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C16H21N3O2S/c1-5-19(6-2)14(20)11(3)22-16-17-13-10-8-7-9-12(13)15(21)18(16)4/h7-11H,5-6H2,1-4H3
InChIKeyAKWBFUIYQCSBSI-UHFFFAOYSA-N
XLogP2.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 51209080
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-methylquinazolin-4-one
CID 4275809
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533
(2R)-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 9329810
N-benzyl-N-ethyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 42975957
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 9329574
(2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 2550961
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
N-(2,6-difluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18091213

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 6489112) is N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CCN(CC)C(=O)C(C)Sc1nc2ccccc2c(=O)n1C.
What is the InChIKey of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is AKWBFUIYQCSBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-5-19(6-2)14(20)11(3)22-16-17-13-10-8-7-9-12(13)15(21)18(16)4/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 319.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 6489112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).