6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

C17H19NO2S — CID 82174336

IUPAC6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(C(O)Cc2cccs2)cc2c(c1C)NC(=O)CC2
InChIInChI=1S/C17H19NO2S/c1-10-11(2)17-12(5-6-16(20)18-17)8-14(10)15(19)9-13-4-3-7-21-13/h3-4,7-8,15,19H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyBXLKNXFNSMMROI-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds3

About 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one

6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174336) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174336
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(C(O)Cc2cccs2)cc2c(c1C)NC(=O)CC2
InChIInChI=1S/C17H19NO2S/c1-10-11(2)17-12(5-6-16(20)18-17)8-14(10)15(19)9-13-4-3-7-21-13/h3-4,7-8,15,19H,5-6,9H2,1-2H3,(H,18,20)
InChIKeyBXLKNXFNSMMROI-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
6-(1-amino-2-phenylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174314
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
7-fluoro-5-(1-hydroxy-2-thiophen-2-ylethyl)-1,3-dihydroindol-2-one
CID 82173542
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
1-(2-fluoro-3-methylphenyl)-2-thiophen-2-ylethanol
CID 81477466
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103126
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 82174336) is 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is Cc1c(C(O)Cc2cccs2)cc2c(c1C)NC(=O)CC2.
What is the InChIKey of 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BXLKNXFNSMMROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-10-11(2)17-12(5-6-16(20)18-17)8-14(10)15(19)9-13-4-3-7-21-13/h3-4,7-8,15,19H,5-6,9H2,1-2H3,(H,18,20).
What are the key properties of 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one?
6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).