furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone

C21H15NO2S — CID 139256396

IUPACfuran-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone
SMILESCSc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccco1
InChIInChI=1S/C21H15NO2S/c1-25-21-19(20(23)17-12-7-13-24-17)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)22-21/h2-13H,1H3
InChIKeyFEODDOMFYOTHMM-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.45
Rot. Bonds4

About furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone

furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone (PubChem CID 139256396) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone
PubChem CID139256396
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Namefuran-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone
SMILESCSc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccco1
InChIInChI=1S/C21H15NO2S/c1-25-21-19(20(23)17-12-7-13-24-17)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)22-21/h2-13H,1H3
InChIKeyFEODDOMFYOTHMM-UHFFFAOYSA-N
XLogP5.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[2-[8-[methyl((111C)methyl)amino]octylsulfanyl]-6-propan-2-yl-3-pyridinyl]methanone
CID 90654963
Methyl 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2098683
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
2-[(3-Methoxybenzyl)sulfanyl]-3-quinolinecarbaldehyde
CID 1481616
Methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2404039
1-(2-Benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2493207
(E)-1-(furan-2-yl)-3-[3-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-one
CID 71570809
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 659886
2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-methylphenyl)acetamide
CID 660052
3-(2-Furoyl)quinoline-2-carbaldehyde
CID 124404
Methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2566752
4-(Furan-2-yl)-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 749416

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone?
The IUPAC name of furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone (CID 139256396) is furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone?
The canonical SMILES for furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone is CSc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone?
The InChIKey is FEODDOMFYOTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c1-25-21-19(20(23)17-12-7-13-24-17)18(14-8-3-2-4-9-14)15-10-5-6-11-16(15)22-21/h2-13H,1H3.
What are the key properties of furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone?
furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone is sourced from PubChem (CID 139256396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).