3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide

C17H11Cl2N3OS — CID 3965193

IUPAC3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3OS/c18-12-7-6-10(9-13(12)19)16(23)22-17(24)21-15-5-1-4-14-11(15)3-2-8-20-14/h1-9H,(H2,21,22,23,24)
InChIKeyQHONYJNRTBLRGA-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.67
Rot. Bonds2

About 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide

3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide (PubChem CID 3965193) has the molecular formula C17H11Cl2N3OS and a molecular weight of 376.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
PubChem CID3965193
Molecular FormulaC17H11Cl2N3OS
Molecular Weight376.27 g/mol
Exact Mass375.00
IUPAC Name3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl2N3OS/c18-12-7-6-10(9-13(12)19)16(23)22-17(24)21-15-5-1-4-14-11(15)3-2-8-20-14/h1-9H,(H2,21,22,23,24)
InChIKeyQHONYJNRTBLRGA-UHFFFAOYSA-N
XLogP4.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-chloro-3-[(3,4-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3793222
3,4-dichloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 4030604
3-chloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 17313677
quinolin-5-ylthiourea
CID 1471601

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide (CID 3965193) is 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The InChIKey is QHONYJNRTBLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3OS/c18-12-7-6-10(9-13(12)19)16(23)22-17(24)21-15-5-1-4-14-11(15)3-2-8-20-14/h1-9H,(H2,21,22,23,24).
What are the key properties of 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide?
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide has a molecular weight of 376.27 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3965193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).