N-(quinolin-8-ylcarbamothioyl)benzamide

C17H13N3OS — CID 3567992

IUPACN-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-16(13-6-2-1-3-7-13)20-17(22)19-14-10-4-8-12-9-5-11-18-15(12)14/h1-11H,(H2,19,20,21,22)
InChIKeyCPYKJTUVPPZYJY-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.36
Rot. Bonds2

About N-(quinolin-8-ylcarbamothioyl)benzamide

N-(quinolin-8-ylcarbamothioyl)benzamide (PubChem CID 3567992) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(quinolin-8-ylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(quinolin-8-ylcarbamothioyl)benzamide
PubChem CID3567992
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-16(13-6-2-1-3-7-13)20-17(22)19-14-10-4-8-12-9-5-11-18-15(12)14/h1-11H,(H2,19,20,21,22)
InChIKeyCPYKJTUVPPZYJY-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylcarbamothioyl)benzamide?
The IUPAC name of N-(quinolin-8-ylcarbamothioyl)benzamide (CID 3567992) is N-(quinolin-8-ylcarbamothioyl)benzamide.
What is the SMILES notation for N-(quinolin-8-ylcarbamothioyl)benzamide?
The canonical SMILES for N-(quinolin-8-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of N-(quinolin-8-ylcarbamothioyl)benzamide?
The InChIKey is CPYKJTUVPPZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(13-6-2-1-3-7-13)20-17(22)19-14-10-4-8-12-9-5-11-18-15(12)14/h1-11H,(H2,19,20,21,22).
What are the key properties of N-(quinolin-8-ylcarbamothioyl)benzamide?
N-(quinolin-8-ylcarbamothioyl)benzamide has a molecular weight of 307.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3567992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).