2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide

C16H13N3OS — CID 114768135

IUPAC2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H13N3OS/c1-10-8-12(16(17)21)9-14(19-10)20-13-6-2-4-11-5-3-7-18-15(11)13/h2-9H,1H3,(H2,17,21)
InChIKeySGJSDFXGQPFUEH-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide

2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide (PubChem CID 114768135) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
PubChem CID114768135
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H13N3OS/c1-10-8-12(16(17)21)9-14(19-10)20-13-6-2-4-11-5-3-7-18-15(11)13/h2-9H,1H3,(H2,17,21)
InChIKeySGJSDFXGQPFUEH-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-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-(2-methylquinolin-8-yl)oxypyridine-4-carbothioamide
CID 43352182
2-methyl-6-[2-(trifluoromethyl)phenoxy]pyridine-4-carbothioamide
CID 114768084
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-(2-methylphenoxy)pyridine-4-carbothioamide
CID 24710338
3-(2-methylquinolin-8-yl)oxypyrazine-2-carbothioamide
CID 62683637
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447
3-(quinolin-8-yloxymethyl)pyridine-2-carbothioamide
CID 62895650
4-(2-methylquinolin-8-yl)oxypyridine-2-carbothioamide
CID 62926639
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide (CID 114768135) is 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Oc2cccc3cccnc23)n1.
What is the InChIKey of 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide?
The InChIKey is SGJSDFXGQPFUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-10-8-12(16(17)21)9-14(19-10)20-13-6-2-4-11-5-3-7-18-15(11)13/h2-9H,1H3,(H2,17,21).
What are the key properties of 2-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide?
2-methyl-6-quinolin-8-yloxypyridine-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-methyl-6-quinolin-8-yloxypyridine-4-carbothioamide is sourced from PubChem (CID 114768135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).