N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide

C18H15N3O2S — CID 108520162

IUPACN-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C18H15N3O2S/c1-24-14-8-3-7-13(11-14)20-17(22)18(23)21-15-9-2-5-12-6-4-10-19-16(12)15/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyRFJTYWOUJMEXQO-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.53
Rot. Bonds3

About N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide

N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide (PubChem CID 108520162) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
PubChem CID108520162
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C18H15N3O2S/c1-24-14-8-3-7-13(11-14)20-17(22)18(23)21-15-9-2-5-12-6-4-10-19-16(12)15/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyRFJTYWOUJMEXQO-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500500
N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
CID 108530108
N-(3H-benzimidazol-5-yl)-N'-quinolin-8-yloxamide
CID 108529264
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108520093
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
1-(3-methylsulfanylphenyl)-3-pyridin-2-ylurea
CID 46891619
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983466

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide (CID 108520162) is N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide is CSc1cccc(NC(=O)C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide?
The InChIKey is RFJTYWOUJMEXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-24-14-8-3-7-13(11-14)20-17(22)18(23)21-15-9-2-5-12-6-4-10-19-16(12)15/h2-11H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide?
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide has a molecular weight of 337.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 108520162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).