N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide

C17H22IN3O2S — CID 4314425

IUPACN,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1nc2ccc(I)cc2c(=O)n1CC
InChIInChI=1S/C17H22IN3O2S/c1-5-20(6-2)15(22)11(4)24-17-19-14-9-8-12(18)10-13(14)16(23)21(17)7-3/h8-11H,5-7H2,1-4H3
InChIKeyZMFSIZMTEIWPKW-UHFFFAOYSA-N
MW459.35 g/mol
LogP3.37
Rot. Bonds6

About N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide

N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 4314425) has the molecular formula C17H22IN3O2S and a molecular weight of 459.35 g/mol. Its IUPAC name is N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID4314425
Molecular FormulaC17H22IN3O2S
Molecular Weight459.35 g/mol
Exact Mass459.05
IUPAC NameN,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1nc2ccc(I)cc2c(=O)n1CC
InChIInChI=1S/C17H22IN3O2S/c1-5-20(6-2)15(22)11(4)24-17-19-14-9-8-12(18)10-13(14)16(23)21(17)7-3/h8-11H,5-7H2,1-4H3
InChIKeyZMFSIZMTEIWPKW-UHFFFAOYSA-N
XLogP3.37
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[6-iodo-3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4221447
(2S)-N,N-diethyl-2-[6-iodo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 1299577
N,N-diethyl-2-[6-iodo-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2960536
N,N-diethyl-2-[6-iodo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2967466
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1214252
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
6-iodo-3-(2-methylprop-2-enyl)-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one
CID 2959841
ethyl (2R)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate
CID 27137096
N-benzyl-N-ethyl-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 42975957
(2S)-N-(2-cyanoethyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-methylpropanamide
CID 8973427
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 4314425) is N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide is CCN(CC)C(=O)C(C)Sc1nc2ccc(I)cc2c(=O)n1CC.
What is the InChIKey of N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is ZMFSIZMTEIWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3O2S/c1-5-20(6-2)15(22)11(4)24-17-19-14-9-8-12(18)10-13(14)16(23)21(17)7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N,N-diethyl-2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 459.35 g/mol, XLogP of 3.37, 6 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-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4314425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).