5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide

C21H14ClN3OS — CID 4559222

IUPAC5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccc2c(Cl)cccc12
InChIInChI=1S/C21H14ClN3OS/c22-17-10-3-7-14-15(17)8-2-9-16(14)20(26)25-21(27)24-18-11-1-5-13-6-4-12-23-19(13)18/h1-12H,(H2,24,25,26,27)
InChIKeyRNJCEXCSVFDBRU-UHFFFAOYSA-N
MW391.88 g/mol
LogP5.17
Rot. Bonds2

About 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide

5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide (PubChem CID 4559222) has the molecular formula C21H14ClN3OS and a molecular weight of 391.88 g/mol. Its IUPAC name is 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
PubChem CID4559222
Molecular FormulaC21H14ClN3OS
Molecular Weight391.88 g/mol
Exact Mass391.05
IUPAC Name5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1cccc2cccnc12)c1cccc2c(Cl)cccc12
InChIInChI=1S/C21H14ClN3OS/c22-17-10-3-7-14-15(17)8-2-9-16(14)20(26)25-21(27)24-18-11-1-5-13-6-4-12-23-19(13)18/h1-12H,(H2,24,25,26,27)
InChIKeyRNJCEXCSVFDBRU-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.88
LogP ≤ 55.17
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

2-iodo-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3653441
5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22775522
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 4006283
3-fluoro-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 4647697
N-[(4-bromo-2-iodophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 3568567
5-(3-chloro-4-methylphenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide
CID 5206936
5-chloro-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 4503555
N-[(4-benzamidophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 17103692
5-chloro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 22778024
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778394

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide (CID 4559222) is 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide is O=C(NC(=S)Nc1cccc2cccnc12)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide?
The InChIKey is RNJCEXCSVFDBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3OS/c22-17-10-3-7-14-15(17)8-2-9-16(14)20(26)25-21(27)24-18-11-1-5-13-6-4-12-23-19(13)18/h1-12H,(H2,24,25,26,27).
What are the key properties of 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide?
5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide has a molecular weight of 391.88 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(quinolin-8-ylcarbamothioyl)naphthalene-1-carboxamide is sourced from PubChem (CID 4559222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).