6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one

C28H23NOS — CID 10574205

IUPAC6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one
SMILESCc1ccc(Sc2ccc3c(c2)C(=O)CC(c2ccccc2)(c2ccccc2)N3)cc1
InChIInChI=1S/C28H23NOS/c1-20-12-14-23(15-13-20)31-24-16-17-26-25(18-24)27(30)19-28(29-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,29H,19H2,1H3
InChIKeyAYRXFOZRLXKZFR-UHFFFAOYSA-N
MW421.57 g/mol
LogP7.09
Rot. Bonds4

About 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one

6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one (PubChem CID 10574205) has the molecular formula C28H23NOS and a molecular weight of 421.57 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one
PubChem CID10574205
Molecular FormulaC28H23NOS
Molecular Weight421.57 g/mol
Exact Mass421.15
IUPAC Name6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one
SMILESCc1ccc(Sc2ccc3c(c2)C(=O)CC(c2ccccc2)(c2ccccc2)N3)cc1
InChIInChI=1S/C28H23NOS/c1-20-12-14-23(15-13-20)31-24-16-17-26-25(18-24)27(30)19-28(29-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,29H,19H2,1H3
InChIKeyAYRXFOZRLXKZFR-UHFFFAOYSA-N
XLogP7.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
6-phenylsulfanyl-1,3-dihydroindol-2-one
CID 21481215
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one
CID 154692194
3-(4-methylphenyl)sulfanylphenol
CID 20780501
3-(4-methylphenyl)sulfanylbenzenethiol
CID 126723170
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
5-[4-[4-(1,3-dioxo-2-phenylisoindol-5-yl)sulfanylphenyl]phenyl]sulfanyl-2-phenylisoindole-1,3-dione
CID 21434743
2-[4-(4-methylphenyl)sulfanylphenyl]isoindole-1,3-dione
CID 168518003
1-methyl-2-[3-(4-methylphenyl)-5-[3-(4-methylphenyl)phenoxy]phenyl]-4-phenylsulfanylbenzene
CID 123164934
methyl 3-(4-methylphenyl)sulfanylbenzoate
CID 154293212

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one?
The IUPAC name of 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one (CID 10574205) is 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one?
The canonical SMILES for 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one is Cc1ccc(Sc2ccc3c(c2)C(=O)CC(c2ccccc2)(c2ccccc2)N3)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one?
The InChIKey is AYRXFOZRLXKZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NOS/c1-20-12-14-23(15-13-20)31-24-16-17-26-25(18-24)27(30)19-28(29-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,29H,19H2,1H3.
What are the key properties of 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one?
6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one has a molecular weight of 421.57 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanyl-2,2-diphenyl-1,3-dihydroquinolin-4-one is sourced from PubChem (CID 10574205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).