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

C16H13N3OS — CID 62926639

IUPAC4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
SMILESCc1ccc2cccc(Oc3ccnc(C(N)=S)c3)c2n1
InChIInChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-12-7-8-18-13(9-12)16(17)21/h2-9H,1H3,(H2,17,21)
InChIKeyYGCICSHUNUMZRR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds3

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

4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide (PubChem CID 62926639) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
PubChem CID62926639
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
SMILESCc1ccc2cccc(Oc3ccnc(C(N)=S)c3)c2n1
InChIInChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-12-7-8-18-13(9-12)16(17)21/h2-9H,1H3,(H2,17,21)
InChIKeyYGCICSHUNUMZRR-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

2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
4-(2,5-difluorophenoxy)pyridine-2-carbothioamide
CID 55167363
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
4-(3-methoxyphenoxy)pyridine-2-carbothioamide
CID 62925939
4-(4-methoxyphenoxy)pyridine-2-carbothioamide
CID 62924380
[5-(2-methylquinolin-8-yl)oxy-2-pyridinyl]methanamine
CID 115487171
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
4-methoxypyridine-2-carbothioamide
CID 62926631
2-methyl-8-pyridin-2-yloxyquinoline
CID 23934989
4-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbothioamide
CID 55154938
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide?
The IUPAC name of 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide (CID 62926639) is 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide.
What is the SMILES notation for 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide?
The canonical SMILES for 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide is Cc1ccc2cccc(Oc3ccnc(C(N)=S)c3)c2n1.
What is the InChIKey of 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide?
The InChIKey is YGCICSHUNUMZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-12-7-8-18-13(9-12)16(17)21/h2-9H,1H3,(H2,17,21).
What are the key properties of 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide?
4-(2-methylquinolin-8-yl)oxypyridine-2-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 4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide is sourced from PubChem (CID 62926639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).