2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide

C12H12IN3O2S — CID 1214252

IUPAC2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(N)=O)nc2ccc(I)cc2c1=O
InChIInChI=1S/C12H12IN3O2S/c1-2-16-11(18)8-5-7(13)3-4-9(8)15-12(16)19-6-10(14)17/h3-5H,2,6H2,1H3,(H2,14,17)
InChIKeyKSNIRGOFNWEXBP-UHFFFAOYSA-N
MW389.22 g/mol
LogP1.60
Rot. Bonds4

About 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide

2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 1214252) has the molecular formula C12H12IN3O2S and a molecular weight of 389.22 g/mol. Its IUPAC name is 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID1214252
Molecular FormulaC12H12IN3O2S
Molecular Weight389.22 g/mol
Exact Mass388.97
IUPAC Name2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(N)=O)nc2ccc(I)cc2c1=O
InChIInChI=1S/C12H12IN3O2S/c1-2-16-11(18)8-5-7(13)3-4-9(8)15-12(16)19-6-10(14)17/h3-5H,2,6H2,1H3,(H2,14,17)
InChIKeyKSNIRGOFNWEXBP-UHFFFAOYSA-N
XLogP1.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
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-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 4314425
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
N-carbamoyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8674882
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
2-(3-ethyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174419
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
3-benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one
CID 5471980
ethyl 2-[6-iodo-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1288069
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butylacetamide
CID 18078900
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-butan-2-ylacetamide
CID 18078897
2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 18078904
2-[3-(9-ethylcarbazol-3-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 30436234

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 1214252) is 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide is CCn1c(SCC(N)=O)nc2ccc(I)cc2c1=O.
What is the InChIKey of 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is KSNIRGOFNWEXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2S/c1-2-16-11(18)8-5-7(13)3-4-9(8)15-12(16)19-6-10(14)17/h3-5H,2,6H2,1H3,(H2,14,17).
What are the key properties of 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide?
2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 389.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1214252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).