3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one

C21H21NOS — CID 154707683

IUPAC3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(SC2CCCCC2)c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H21NOS/c23-20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21(20)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23)
InChIKeyXEIQZFQQWNROBL-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.62
Rot. Bonds3

About 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one

3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one (PubChem CID 154707683) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one
PubChem CID154707683
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one
SMILESO=c1c(SC2CCCCC2)c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H21NOS/c23-20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21(20)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23)
InChIKeyXEIQZFQQWNROBL-UHFFFAOYSA-N
XLogP5.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
CID 154707679
3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 728820
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoic acid
CID 71364656
10H-acridin-9-one
CID 22753806
3-benzylsulfanyl-2-phenyl-1H-indole
CID 10852837
10H-acridin-9-one;ethane
CID 91525380
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
CID 3054786
3-fluoro-2-phenyl-1H-indole
CID 141242496
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
(2-phenyl-1H-indol-3-yl)-[(3S)-piperidin-3-yl]methanone
CID 124510587
2-[4-[(2-phenyl-1H-indol-3-yl)methyl]phenyl]cyclohexane-1-carboxylic acid
CID 15342294

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one?
The IUPAC name of 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one (CID 154707683) is 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one?
The canonical SMILES for 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one is O=c1c(SC2CCCCC2)c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one?
The InChIKey is XEIQZFQQWNROBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c23-20-17-13-7-8-14-18(17)22-19(15-9-3-1-4-10-15)21(20)24-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23).
What are the key properties of 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one?
3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one has a molecular weight of 335.47 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 154707683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).