4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide

C18H15N3O2S — CID 952487

IUPAC4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-14-9-7-13(8-10-14)17(22)21-18(24)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H2,20,21,22,24)
InChIKeyDMHIRGZPWFGYBW-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.37
Rot. Bonds3

About 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide

4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide (PubChem CID 952487) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
PubChem CID952487
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
SMILESCOc1ccc(C(=O)NC(=S)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-14-9-7-13(8-10-14)17(22)21-18(24)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H2,20,21,22,24)
InChIKeyDMHIRGZPWFGYBW-UHFFFAOYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 4647697
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3653441
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
CID 598063
5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
CID 4559222
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The IUPAC name of 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide (CID 952487) is 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide is COc1ccc(C(=O)NC(=S)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
The InChIKey is DMHIRGZPWFGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-14-9-7-13(8-10-14)17(22)21-18(24)20-15-6-2-4-12-5-3-11-19-16(12)15/h2-11H,1H3,(H2,20,21,22,24).
What are the key properties of 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide?
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide has a molecular weight of 337.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide is sourced from PubChem (CID 952487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).