8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide

C27H24N2O3S — CID 54518752

IUPAC8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
SMILESCOc1ccc(C=Cc2ccc3ccc(C(=O)NCCSc4ccccc4)c(O)c3n2)cc1
InChIInChI=1S/C27H24N2O3S/c1-32-22-14-8-19(9-15-22)7-12-21-13-10-20-11-16-24(26(30)25(20)29-21)27(31)28-17-18-33-23-5-3-2-4-6-23/h2-16,30H,17-18H2,1H3,(H,28,31)
InChIKeyYOGOVEVXCGHHRC-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.64
Rot. Bonds8

About 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide

8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide (PubChem CID 54518752) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
PubChem CID54518752
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC Name8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
SMILESCOc1ccc(C=Cc2ccc3ccc(C(=O)NCCSc4ccccc4)c(O)c3n2)cc1
InChIInChI=1S/C27H24N2O3S/c1-32-22-14-8-19(9-15-22)7-12-21-13-10-20-11-16-24(26(30)25(20)29-21)27(31)28-17-18-33-23-5-3-2-4-6-23/h2-16,30H,17-18H2,1H3,(H,28,31)
InChIKeyYOGOVEVXCGHHRC-UHFFFAOYSA-N
XLogP5.64
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-N-(2-hydroxy-2-phenylethyl)-2-[2-(4-methoxyphenyl)ethenyl]quinoline-7-carboxamide
CID 54020450
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-(2-phenylethenyl)quinoline-7-carboxamide
CID 54063603
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
(E)-3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide
CID 2274721
5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
CID 18344981
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
N-methyl-4-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]benzamide
CID 134002494
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 9063293
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(4-methoxyphenyl)propanoate
CID 7628890
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide (CID 54518752) is 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide is COc1ccc(C=Cc2ccc3ccc(C(=O)NCCSc4ccccc4)c(O)c3n2)cc1.
What is the InChIKey of 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
The InChIKey is YOGOVEVXCGHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c1-32-22-14-8-19(9-15-22)7-12-21-13-10-20-11-16-24(26(30)25(20)29-21)27(31)28-17-18-33-23-5-3-2-4-6-23/h2-16,30H,17-18H2,1H3,(H,28,31).
What are the key properties of 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide?
8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[2-(4-methoxyphenyl)ethenyl]-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide is sourced from PubChem (CID 54518752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).