2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one

C23H19NOS — CID 53375546

IUPAC2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc4sc5ccccc5c4c3)ccc2C1=O
InChIInChI=1S/C23H19NOS/c1-23(2)12-11-19-16(22(23)25)8-9-18(24-19)14-7-10-21-17(13-14)15-5-3-4-6-20(15)26-21/h3-10,13H,11-12H2,1-2H3
InChIKeyZUMNTGQYUNSGCE-UHFFFAOYSA-N
MW357.48 g/mol
LogP6.27
Rot. Bonds1

About 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one

2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one (PubChem CID 53375546) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one
PubChem CID53375546
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ccc4sc5ccccc5c4c3)ccc2C1=O
InChIInChI=1S/C23H19NOS/c1-23(2)12-11-19-16(22(23)25)8-9-18(24-19)14-7-10-21-17(13-14)15-5-3-4-6-20(15)26-21/h3-10,13H,11-12H2,1-2H3
InChIKeyZUMNTGQYUNSGCE-UHFFFAOYSA-N
XLogP6.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Thiophen-2-yl)-7,8-dihydroquinolin-5(6H)-one
CID 12519802
6-methyl-{N}-[4-[({E})-3-phenylprop-2-enoyl]phenyl]thieno[2,3-b]quinoline-2-carboxamide
CID 155560398
9-Methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione
CID 10641257
7,7-Dimethyl-2-(2-thienyl)-6,8-dihydroquinolin-5-one
CID 53324821
11-amino-9-methyl-8,9-dihydro-7H-[1]benzothiolo[2,3-b]quinolin-10-one
CID 10333982
7H-Indeno(2,1-c)quinolin-7-one, 6-(2-thienyl)-
CID 3080463
6,6-Dimethyl-2-(2-thienyl)-7,8-dihydroquinolin-5-one
CID 53375549
[4-Phenyl-2-(trifluoromethyl)quinolin-3-yl]-thiophen-2-ylmethanone
CID 16655274
1-[4-[5-Quinolin-2-yl-4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]ethanone
CID 166448443
2-Dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 53375520
Phenyl(thieno[2,3-b]quinolin-2-yl)methanone
CID 5178943
Quinolyl-thienyl chalcone
CID 129884845

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one (CID 53375546) is 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one is CC1(C)CCc2nc(-c3ccc4sc5ccccc5c4c3)ccc2C1=O.
What is the InChIKey of 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The InChIKey is ZUMNTGQYUNSGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-23(2)12-11-19-16(22(23)25)8-9-18(24-19)14-7-10-21-17(13-14)15-5-3-4-6-20(15)26-21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one?
2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one has a molecular weight of 357.48 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-6,6-dimethyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 53375546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).