2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C16H21N3O2S — CID 2595117

IUPAC2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCCCn1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2S/c1-2-3-4-7-10-19-15(21)12-8-5-6-9-13(12)18-16(19)22-11-14(17)20/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,17,20)
InChIKeyUYHNRUNSVOSFNF-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.55
Rot. Bonds8

About 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide

2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 2595117) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID2595117
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCCCn1c(SCC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C16H21N3O2S/c1-2-3-4-7-10-19-15(21)12-8-5-6-9-13(12)18-16(19)22-11-14(17)20/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,17,20)
InChIKeyUYHNRUNSVOSFNF-UHFFFAOYSA-N
XLogP2.55
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
2-butylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 78815225
tert-butyl 2-[3-(6-amino-6-oxohexyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 55473137
N-(cyanomethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
CID 29432257
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
3-butyl-2-(4-hydroxybutylsulfanyl)quinazolin-4-one
CID 110931344
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16534790
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 2595117) is 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCCCCCn1c(SCC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is UYHNRUNSVOSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-3-4-7-10-19-15(21)12-8-5-6-9-13(12)18-16(19)22-11-14(17)20/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,17,20).
What are the key properties of 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2595117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).