2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide

C17H12IN3OS — CID 3653441

IUPAC2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1I
InChIInChI=1S/C17H12IN3OS/c18-13-8-2-1-7-12(13)16(22)21-17(23)20-14-9-3-5-11-6-4-10-19-15(11)14/h1-10H,(H2,20,21,22,23)
InChIKeyZWJPZPSIANTJPD-UHFFFAOYSA-N
MW433.27 g/mol
LogP3.97
Rot. Bonds2

About 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide

2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide (PubChem CID 3653441) has the molecular formula C17H12IN3OS and a molecular weight of 433.27 g/mol. Its IUPAC name is 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
PubChem CID3653441
Molecular FormulaC17H12IN3OS
Molecular Weight433.27 g/mol
Exact Mass432.97
IUPAC Name2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1I
InChIInChI=1S/C17H12IN3OS/c18-13-8-2-1-7-12(13)16(22)21-17(23)20-14-9-3-5-11-6-4-10-19-15(11)14/h1-10H,(H2,20,21,22,23)
InChIKeyZWJPZPSIANTJPD-UHFFFAOYSA-N
XLogP3.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
CID 4559222
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 4647697
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 4006283
4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
2-methyl-N-[(1R)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]benzamide
CID 1380207
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide?
The IUPAC name of 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide (CID 3653441) is 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide.
What is the SMILES notation for 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide?
The canonical SMILES for 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2cccnc12)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide?
The InChIKey is ZWJPZPSIANTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12IN3OS/c18-13-8-2-1-7-12(13)16(22)21-17(23)20-14-9-3-5-11-6-4-10-19-15(11)14/h1-10H,(H2,20,21,22,23).
What are the key properties of 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide?
2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide has a molecular weight of 433.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3653441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).