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

C23H19NOS — CID 53375520

IUPAC2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ccc4sc5ccccc5c4c3)nc2C1
InChIInChI=1S/C23H19NOS/c1-23(2)12-19-16(20(25)13-23)8-9-18(24-19)14-7-10-22-17(11-14)15-5-3-4-6-21(15)26-22/h3-11H,12-13H2,1-2H3
InChIKeyUCLQNOGIVLXVKT-UHFFFAOYSA-N
MW357.48 g/mol
LogP6.27
Rot. Bonds1

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

2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one (PubChem CID 53375520) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one
PubChem CID53375520
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)c2ccc(-c3ccc4sc5ccccc5c4c3)nc2C1
InChIInChI=1S/C23H19NOS/c1-23(2)12-19-16(20(25)13-23)8-9-18(24-19)14-7-10-22-17(11-14)15-5-3-4-6-21(15)26-22/h3-11H,12-13H2,1-2H3
InChIKeyUCLQNOGIVLXVKT-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

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Related Compounds

7,7-Dimethyl-2-(2-thienyl)-6,8-dihydroquinolin-5-one
CID 53324821
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-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 53375546
[(5S)-2-cyclopentyl-5,7,7-trimethyl-4-thiophen-3-yl-6,8-dihydro-5H-quinolin-3-yl]-(4-fluorophenyl)methanone
CID 59890497
Phenyl(thieno[2,3-b]quinolin-2-yl)methanone
CID 5178943
1-[4-(4-Thiophen-3-ylquinolin-2-yl)phenyl]ethanone
CID 86102332
Quinolyl-thienyl chalcone
CID 129884845
2-(2-Phenylquinolin-4-yl)-1-thiophen-2-ylethanone
CID 135034497
3,6,6,12-Tetramethyl-[1]benzothiolo[2,3-a]carbazol-5-one
CID 138971863
(2E)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 139085271

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one (CID 53375520) is 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)c2ccc(-c3ccc4sc5ccccc5c4c3)nc2C1.
What is the InChIKey of 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one?
The InChIKey is UCLQNOGIVLXVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-23(2)12-19-16(20(25)13-23)8-9-18(24-19)14-7-10-22-17(11-14)15-5-3-4-6-21(15)26-22/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-dihydroquinolin-5-one?
2-dibenzothiophen-2-yl-7,7-dimethyl-6,8-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-7,7-dimethyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 53375520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).