2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide

C18H14ClN3OS — CID 4006283

IUPAC2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2cccnc12
InChIInChI=1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)11-16(23)22-18(24)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyDPZRYQRPXSYGRC-UHFFFAOYSA-N
MW355.85 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide

2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide (PubChem CID 4006283) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
PubChem CID4006283
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2cccnc12
InChIInChI=1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)11-16(23)22-18(24)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-10H,11H2,(H2,21,22,23,24)
InChIKeyDPZRYQRPXSYGRC-UHFFFAOYSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]acetamide
CID 3094500
2-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 3933868
2-(1-adamantyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 2963804
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
CID 4559222
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
5-(3-chloro-4-methylphenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide
CID 5206936
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide (CID 4006283) is 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide is O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide?
The InChIKey is DPZRYQRPXSYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-8-6-12(7-9-14)11-16(23)22-18(24)21-15-5-1-3-13-4-2-10-20-17(13)15/h1-10H,11H2,(H2,21,22,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide?
2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide has a molecular weight of 355.85 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide is sourced from PubChem (CID 4006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).