2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide

C16H13N3OS — CID 43352182

IUPAC2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
SMILESCc1ccc2cccc(Oc3cc(C(N)=S)ccn3)c2n1
InChIInChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-9-12(16(17)21)7-8-18-14/h2-9H,1H3,(H2,17,21)
InChIKeyPMSVCBHYZBEBJS-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds3

About 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide

2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide (PubChem CID 43352182) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
PubChem CID43352182
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
SMILESCc1ccc2cccc(Oc3cc(C(N)=S)ccn3)c2n1
InChIInChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-9-12(16(17)21)7-8-18-14/h2-9H,1H3,(H2,17,21)
InChIKeyPMSVCBHYZBEBJS-UHFFFAOYSA-N
XLogP3.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
CID 114768135
2-(2-methylquinolin-8-yl)oxypyridine-4-carbonitrile
CID 43352179
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
[6-(2-methylquinolin-8-yl)oxypyrimidin-4-yl]hydrazine
CID 80917031
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
2-(2,3,6-trimethylphenoxy)pyridine-4-carbothioamide
CID 43345578
[4-methyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-yl]hydrazine
CID 80913418

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide?
The IUPAC name of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide (CID 43352182) is 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide?
The canonical SMILES for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide is Cc1ccc2cccc(Oc3cc(C(N)=S)ccn3)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide?
The InChIKey is PMSVCBHYZBEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-13(15(11)19-10)20-14-9-12(16(17)21)7-8-18-14/h2-9H,1H3,(H2,17,21).
What are the key properties of 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide?
2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide has a molecular weight of 295.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide is sourced from PubChem (CID 43352182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).