3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide

C15H12N4OS — CID 62683637

IUPAC3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
SMILESCc1ccc2cccc(Oc3nccnc3C(N)=S)c2n1
InChIInChI=1S/C15H12N4OS/c1-9-5-6-10-3-2-4-11(12(10)19-9)20-15-13(14(16)21)17-7-8-18-15/h2-8H,1H3,(H2,16,21)
InChIKeyJCKJJNPWZLESHW-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.76
Rot. Bonds3

About 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide

3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide (PubChem CID 62683637) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide.

Molecular Properties

Compound Name3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
PubChem CID62683637
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
SMILESCc1ccc2cccc(Oc3nccnc3C(N)=S)c2n1
InChIInChI=1S/C15H12N4OS/c1-9-5-6-10-3-2-4-11(12(10)19-9)20-15-13(14(16)21)17-7-8-18-15/h2-8H,1H3,(H2,16,21)
InChIKeyJCKJJNPWZLESHW-UHFFFAOYSA-N
XLogP2.76
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
3-(2,3-dichlorophenoxy)pyrazine-2-carbothioamide
CID 55102759
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
CID 79632871
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
3-(4-bromo-2-methylphenoxy)pyrazine-2-carbothioamide
CID 55161140
3-(4-methylphenoxy)pyrazine-2-carbothioamide
CID 62684134

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide?
The IUPAC name of 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide (CID 62683637) is 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide.
What is the SMILES notation for 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide?
The canonical SMILES for 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide is Cc1ccc2cccc(Oc3nccnc3C(N)=S)c2n1.
What is the InChIKey of 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide?
The InChIKey is JCKJJNPWZLESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-9-5-6-10-3-2-4-11(12(10)19-9)20-15-13(14(16)21)17-7-8-18-15/h2-8H,1H3,(H2,16,21).
What are the key properties of 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide?
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide has a molecular weight of 296.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide is sourced from PubChem (CID 62683637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).