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

C15H15NOS — CID 53375549

IUPAC6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3cccs3)ccc2C1=O
InChIInChI=1S/C15H15NOS/c1-15(2)8-7-11-10(14(15)17)5-6-12(16-11)13-4-3-9-18-13/h3-6,9H,7-8H2,1-2H3
InChIKeyLLJCPXDJNHPJHV-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds1

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

6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one (PubChem CID 53375549) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one
PubChem CID53375549
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3cccs3)ccc2C1=O
InChIInChI=1S/C15H15NOS/c1-15(2)8-7-11-10(14(15)17)5-6-12(16-11)13-4-3-9-18-13/h3-6,9H,7-8H2,1-2H3
InChIKeyLLJCPXDJNHPJHV-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Y 29794
CID 195609
2-[(4-Methyl-2-quinolinyl)thio]-1-(2-thienyl)ethanone
CID 975240
8-anilino-6-thiophen-3-yl-3,4-dihydro-2H-phenanthridine-1,7,10-trione
CID 53361724
6-methyl-2-(thiophen-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54583563
2-(Thiophen-2-yl)-7,8-dihydroquinolin-5(6H)-one
CID 12519802
2-[(4,8-Dimethyl-2-quinolinyl)thio]-1-(2-thienyl)ethanone
CID 2224676
2-(5-Chloro-2-thienyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 52918118
2-(5-Bromo-2-thienyl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 52918119
7,7-Dimethyl-2-(2-thienyl)-6,8-dihydroquinolin-5-one
CID 53324821
N,N-diethyl-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 53576714
7H-Indeno(2,1-c)quinolin-7-one, 6-(2-thienyl)-
CID 3080463
2-(5-Bromothiophen-2-yl)-7,8-dihydroquinolin-5(6H)-one
CID 53319548

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one?
The IUPAC name of 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one (CID 53375549) is 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one is CC1(C)CCc2nc(-c3cccs3)ccc2C1=O.
What is the InChIKey of 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one?
The InChIKey is LLJCPXDJNHPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-15(2)8-7-11-10(14(15)17)5-6-12(16-11)13-4-3-9-18-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one?
6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one has a molecular weight of 257.36 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-thiophen-2-yl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 53375549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).