3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide

C16H13N3OS — CID 107313737

IUPAC3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1COc1ccc2cccnc2c1
InChIInChI=1S/C16H13N3OS/c17-16(21)15-12(4-2-8-19-15)10-20-13-6-5-11-3-1-7-18-14(11)9-13/h1-9H,10H2,(H2,17,21)
InChIKeyREKLSLPGKMLDKF-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.84
Rot. Bonds4

About 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide

3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide (PubChem CID 107313737) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide.

Molecular Properties

Compound Name3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide
PubChem CID107313737
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide
SMILESNC(=S)c1ncccc1COc1ccc2cccnc2c1
InChIInChI=1S/C16H13N3OS/c17-16(21)15-12(4-2-8-19-15)10-20-13-6-5-11-3-1-7-18-14(11)9-13/h1-9H,10H2,(H2,17,21)
InChIKeyREKLSLPGKMLDKF-UHFFFAOYSA-N
XLogP2.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.84
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

7-[(2-chlorophenyl)methoxy]quinoline
CID 91807412
3-[(4-tert-butylphenoxy)methyl]pyridine-2-carbothioamide
CID 62895645
N-methyl-1-[2-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107314976
3-(quinolin-8-yloxymethyl)pyridine-2-carbothioamide
CID 62895650
5-fluoro-2-(quinolin-7-yloxymethyl)aniline
CID 107313267
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
3-[(2,4,6-triiodophenoxy)methyl]pyridine-2-carbothioamide
CID 63542381
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
3-[(4-chloro-2,6-dimethylphenoxy)methyl]pyridine-2-carbothioamide
CID 62895481
6-quinolin-7-yloxyhexan-1-ol
CID 107705479

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide?
The IUPAC name of 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide (CID 107313737) is 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide.
What is the SMILES notation for 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide?
The canonical SMILES for 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide is NC(=S)c1ncccc1COc1ccc2cccnc2c1.
What is the InChIKey of 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide?
The InChIKey is REKLSLPGKMLDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-16(21)15-12(4-2-8-19-15)10-20-13-6-5-11-3-1-7-18-14(11)9-13/h1-9H,10H2,(H2,17,21).
What are the key properties of 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide?
3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide has a molecular weight of 295.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-7-yloxymethyl)pyridine-2-carbothioamide is sourced from PubChem (CID 107313737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).