5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide

C19H17ClN2O2S — CID 18344981

IUPAC5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
SMILESCc1ccc2c(Cl)cc(C(=O)NCCSc3ccccc3)c(O)c2n1
InChIInChI=1S/C19H17ClN2O2S/c1-12-7-8-14-16(20)11-15(18(23)17(14)22-12)19(24)21-9-10-25-13-5-3-2-4-6-13/h2-8,11,23H,9-10H2,1H3,(H,21,24)
InChIKeyMVTGJIQXRGPRAH-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.42
Rot. Bonds5

About 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide

5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide (PubChem CID 18344981) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
PubChem CID18344981
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
SMILESCc1ccc2c(Cl)cc(C(=O)NCCSc3ccccc3)c(O)c2n1
InChIInChI=1S/C19H17ClN2O2S/c1-12-7-8-14-16(20)11-15(18(23)17(14)22-12)19(24)21-9-10-25-13-5-3-2-4-6-13/h2-8,11,23H,9-10H2,1H3,(H,21,24)
InChIKeyMVTGJIQXRGPRAH-UHFFFAOYSA-N
XLogP4.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide
CID 18372703
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
2-bromo-4-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103763452
5-chloro-2-methyl-7-phenylquinolin-8-ol
CID 122229840
3-bromo-2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 103979113
8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
CID 54518752
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 55386908

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The IUPAC name of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide (CID 18344981) is 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide.
What is the SMILES notation for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The canonical SMILES for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide is Cc1ccc2c(Cl)cc(C(=O)NCCSc3ccccc3)c(O)c2n1.
What is the InChIKey of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The InChIKey is MVTGJIQXRGPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-7-8-14-16(20)11-15(18(23)17(14)22-12)19(24)21-9-10-25-13-5-3-2-4-6-13/h2-8,11,23H,9-10H2,1H3,(H,21,24).
What are the key properties of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide is sourced from PubChem (CID 18344981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).